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The gold-ammonia bonding patterns of neutral and charged complexes Au m 0+/-1-(NH3)n. I. Bonding and charge alternation.
Kryachko, Eugène; Remacle, Françoise
2007 • In Journal of Chemical Physics, 127 (19), p. 194305
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https://hdl.handle.net/2268/34588
DOI
10.1063/1.2786996
PubMed
18035881
 

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Abstract :
[en] The gold-ammonia bonding patterns of the complexes which are formed between the ammonia clusters (NH/sub 3/)/sub 1
Disciplines :
Chemistry
Author, co-author :
Kryachko, Eugène ;  Université de Liège - ULiège > Département de chimie (sciences) > Laboratoire de chimie physique théorique
Remacle, Françoise  ;  Université de Liège - ULiège > Département de chimie (sciences) > Laboratoire de chimie physique théorique
Language :
English
Title :
The gold-ammonia bonding patterns of neutral and charged complexes Au m 0+/-1-(NH3)n. I. Bonding and charge alternation.
Publication date :
2007
Journal title :
Journal of Chemical Physics
ISSN :
0021-9606
eISSN :
1089-7690
Publisher :
American Institute of Physics (AIP), New York, United States - New York
Volume :
127
Issue :
19
Pages :
194305
Peer reviewed :
Peer Reviewed verified by ORBi
Available on ORBi :
since 05 January 2010

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Bibliography

  • (a) M. Haruta, T. Kobayashi, H. Sano, and N. Yamada, Chem. Lett. 0366-7022 1987, 405; (b) M. Haruta, N. Yamada, T. Kobayashi, and S. Iijima, J. Catal. 115, 301 (1989); (c) M. Haruta, Catal. Today 36, 153 (1997); (d) A. Shiga and M. Haruta, Appl. Catal. A: General 291, 6 (2005), and references therein.
  • (a) M. Haruta, T. Kobayashi, H. Sano, and N. Yamada, Chem. Lett. 0366-7022 1987, 405; (b) M. Haruta, N. Yamada, T. Kobayashi, and S. Iijima, J. Catal. 115, 301 (1989); (c) M. Haruta, Catal. Today 36, 153 (1997); (d) A. Shiga and M. Haruta, Appl. Catal. A: General 291, 6 (2005), and references therein.
  • (a) M. Haruta, T. Kobayashi, H. Sano, and N. Yamada, Chem. Lett. 0366-7022 1987, 405; (b) M. Haruta, N. Yamada, T. Kobayashi, and S. Iijima, J. Catal. 115, 301 (1989); (c) M. Haruta, Catal. Today 36, 153 (1997); (d) A. Shiga and M. Haruta, Appl. Catal. A: General 291, 6 (2005), and references therein.
  • (a) M. Haruta, T. Kobayashi, H. Sano, and N. Yamada, Chem. Lett. 0366-7022 1987, 405; (b) M. Haruta, N. Yamada, T. Kobayashi, and S. Iijima, J. Catal. 115, 301 (1989); (c) M. Haruta, Catal. Today 36, 153 (1997); (d) A. Shiga and M. Haruta, Appl. Catal. A: General 291, 6 (2005), and references therein.
  • M. Valden, X. Lai, and D. W. Goodman, Science 0036-8075 10.1126/science.281.5383.1647 281, 1647 (1998); B. Hammer and J. K. Nørskov, Nature (London) 0028-0836 10.1038/376238a0 376, 238 (1995); A. Sanchez, S. Abbet, U. Heiz, W.-D. Schneider, H. Häkkinen, R. N. Barnett, and U. Landman, J. Phys. Chem. A 1089-5639 10.1021/jp9935992 103, 9573 (1999); M. Bäumer and H.-J. Freund, Prog. Surf. Sci. 61, 127 (1999), and referencs therein.
  • M. Valden, X. Lai, and D. W. Goodman, Science 0036-8075 10.1126/science.281.5383.1647 281, 1647 (1998); B. Hammer and J. K. Nørskov, Nature (London) 0028-0836 10.1038/376238a0 376, 238 (1995); A. Sanchez, S. Abbet, U. Heiz, W.-D. Schneider, H. Häkkinen, R. N. Barnett, and U. Landman, J. Phys. Chem. A 1089-5639 10.1021/jp9935992 103, 9573 (1999); M. Bäumer and H.-J. Freund, Prog. Surf. Sci. 61, 127 (1999), and referencs therein.
  • M. Valden, X. Lai, and D. W. Goodman, Science 0036-8075 10.1126/science.281.5383.1647 281, 1647 (1998); B. Hammer and J. K. Nørskov, Nature (London) 0028-0836 10.1038/376238a0 376, 238 (1995); A. Sanchez, S. Abbet, U. Heiz, W.-D. Schneider, H. Häkkinen, R. N. Barnett, and U. Landman, J. Phys. Chem. A 1089-5639 10.1021/jp9935992 103, 9573 (1999); M. Bäumer and H.-J. Freund, Prog. Surf. Sci. 61, 127 (1999), and referencs therein.
  • M. Valden, X. Lai, and D. W. Goodman, Science 0036-8075 10.1126/science.281.5383.1647 281, 1647 (1998); B. Hammer and J. K. Nørskov, Nature (London) 0028-0836 10.1038/376238a0 376, 238 (1995); A. Sanchez, S. Abbet, U. Heiz, W.-D. Schneider, H. Häkkinen, R. N. Barnett, and U. Landman, J. Phys. Chem. A 1089-5639 10.1021/jp9935992 103, 9573 (1999); M. Bäumer and H.-J. Freund, Prog. Surf. Sci. 61, 127 (1999), and referencs therein.
  • P. Pyykkö, Angew. Chem., Int. Ed. 1433-7851 10.1002/anie.200300624 43, 4412 (2004); P. Pyykkö, Inorg. Chim. Acta 358, 4113 (2005).
  • P. Pyykkö, Angew. Chem., Int. Ed. 1433-7851 10.1002/anie.200300624 43, 4412 (2004); P. Pyykkö, Inorg. Chim. Acta 358, 4113 (2005).
  • N. A. Lambropoulos, J. R. Reimers, and N. S. Hush, J. Chem. Phys. 0021-9606 10.1063/1.1473197 116, 10277 (2002); M. Antolovich, L. F. Lindoy, and J. R. Reimers, J. Phys. Chem. A 108, 8434 (2004).
  • N. A. Lambropoulos, J. R. Reimers, and N. S. Hush, J. Chem. Phys. 0021-9606 10.1063/1.1473197 116, 10277 (2002); M. Antolovich, L. F. Lindoy, and J. R. Reimers, J. Phys. Chem. A 108, 8434 (2004).
  • A. Antušek, M. Urban, and A. J. Sadlej, J. Chem. Phys. 119, 7247 (2003).
  • J. Hrušák, R. H. Hertwig, D. Schröder, P. Schwerdtfeger, W. Koch, and H. Schwarz, Organometallics 0276-7333 10.1021/om00003a031 14, 1284 (1995); T. H. Hertwig, J. Hrušák, D. Schröder, W. Koch, and H. Schwarz, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)00211-L 236, 194 (1995); D. Schröder, J. Hrušák, R. H. Hertwig, W. Koch, P. Scwerdtfeger, and H. Schwarz, Organometallics 14, 312 (1995).
  • J. Hrušák, R. H. Hertwig, D. Schröder, P. Schwerdtfeger, W. Koch, and H. Schwarz, Organometallics 0276-7333 10.1021/om00003a031 14, 1284 (1995); T. H. Hertwig, J. Hrušák, D. Schröder, W. Koch, and H. Schwarz, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)00211-L 236, 194 (1995); D. Schröder, J. Hrušák, R. H. Hertwig, W. Koch, P. Scwerdtfeger, and H. Schwarz, Organometallics 14, 312 (1995).
  • J. Hrušák, R. H. Hertwig, D. Schröder, P. Schwerdtfeger, W. Koch, and H. Schwarz, Organometallics 0276-7333 10.1021/om00003a031 14, 1284 (1995); T. H. Hertwig, J. Hrušák, D. Schröder, W. Koch, and H. Schwarz, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)00211-L 236, 194 (1995); D. Schröder, J. Hrušák, R. H. Hertwig, W. Koch, P. Scwerdtfeger, and H. Schwarz, Organometallics 14, 312 (1995).
  • M. A. Carvajal, J. J. Novoa, and S. Alvarez, J. Am. Chem. Soc. 0002-7863 126, 1465 (2004); R. Armunanto, C. F. Schwenk, and B. M. Rode, J. Am. Chem. Soc. 126, 9934 (2004).
  • M. A. Carvajal, J. J. Novoa, and S. Alvarez, J. Am. Chem. Soc. 0002-7863 126, 1465 (2004); R. Armunanto, C. F. Schwenk, and B. M. Rode, J. Am. Chem. Soc. 126, 9934 (2004).
  • D.-Y. Wu, B. Ren, Y.-X. Jiang, X. Xu, and Z.-Q. Tian, J. Phys. Chem. A 1089-5639 10.1021/jp025970i 106, 9042 (2002); H.-C. Hsu, F.-W. Lin, C.-C. Lai, P.-H. Su, and C.-S. Yeh, New J. Chem. 26, 481 (2002).
  • D.-Y. Wu, B. Ren, Y.-X. Jiang, X. Xu, and Z.-Q. Tian, J. Phys. Chem. A 1089-5639 10.1021/jp025970i 106, 9042 (2002); H.-C. Hsu, F.-W. Lin, C.-C. Lai, P.-H. Su, and C.-S. Yeh, New J. Chem. 26, 481 (2002).
  • J. V. Burda, J. Šponer, and P. Hobza, J. Phys. Chem. 0022-3654 10.1021/jp952941h 100, 7250 (1996); J. Šponer, M. Sabat, J. V. Burda, J. Leszczynski, P. Hobza, and B. Lippert, JBIC, J. Biol. Inorg. Chem. 4, 537 (1999).
  • J. V. Burda, J. Šponer, and P. Hobza, J. Phys. Chem. 0022-3654 10.1021/jp952941h 100, 7250 (1996); J. Šponer, M. Sabat, J. V. Burda, J. Leszczynski, P. Hobza, and B. Lippert, JBIC, J. Biol. Inorg. Chem. 4, 537 (1999).
  • E. S. Kryachko and F. Remacle, Nano Lett. 1530-6984 10.1021/nl050194m 5, 735 (2005); E. S. Kryachko and F. Remacle, J. Phys. Chem. B 109, 22746 (2005).
  • E. S. Kryachko and F. Remacle, Nano Lett. 1530-6984 10.1021/nl050194m 5, 735 (2005); E. S. Kryachko and F. Remacle, J. Phys. Chem. B 109, 22746 (2005).
  • (a) A. Billić, J. R. Reimers, N. S. Hush, and J. Hafner, J. Chem. Phys. 0021-9606 10.1063/1.1471245 116, 8981 (2002); (b) M. E. Coltrin and B. D. Kay, J. Chem. Phys. 0021-9606 10.1063/1.455444 89, 551 (1988); (c) B. D. Kay, K. R. Lykke, J. R. Creighton, and S. J. Ward, J. Chem. Phys. 91, 5120 (1989).
  • (a) A. Billić, J. R. Reimers, N. S. Hush, and J. Hafner, J. Chem. Phys. 0021-9606 10.1063/1.1471245 116, 8981 (2002); (b) M. E. Coltrin and B. D. Kay, J. Chem. Phys. 0021-9606 10.1063/1.455444 89, 551 (1988); (c) B. D. Kay, K. R. Lykke, J. R. Creighton, and S. J. Ward, J. Chem. Phys. 91, 5120 (1989).
  • (a) A. Billić, J. R. Reimers, N. S. Hush, and J. Hafner, J. Chem. Phys. 0021-9606 10.1063/1.1471245 116, 8981 (2002); (b) M. E. Coltrin and B. D. Kay, J. Chem. Phys. 0021-9606 10.1063/1.455444 89, 551 (1988); (c) B. D. Kay, K. R. Lykke, J. R. Creighton, and S. J. Ward, J. Chem. Phys. 91, 5120 (1989).
  • S. M. Hou, J. X. Zhang, R. Li, J. Ning, R. S. Han, Z. Y. Shen, X. Y. Zhao, Z. Q. Xue, and Q. Wu, Nanotechnology 0957-4484 10.1088/0957-4484/16/2/010 16, 239 (2005); R. Stadler, K. S. Thygesen, and K. W. Jacobsen, Phys. Rev. B 72, 241401 (R) (2005).
  • S. M. Hou, J. X. Zhang, R. Li, J. Ning, R. S. Han, Z. Y. Shen, X. Y. Zhao, Z. Q. Xue, and Q. Wu, Nanotechnology 0957-4484 10.1088/0957-4484/16/2/010 16, 239 (2005); R. Stadler, K. S. Thygesen, and K. W. Jacobsen, Phys. Rev. B 72, 241401 (R) (2005).
  • B. Xu, X. Xiao, and N. J. Tao, J. Am. Chem. Soc. 0002-7863 10.1021/ja038949j 125, 16164 (2003); P. V́lez, S. A. Dassie, and E. P. M. Leiva, Phys. Rev. Lett. 95, 045503 (2005).
  • B. Xu, X. Xiao, and N. J. Tao, J. Am. Chem. Soc. 0002-7863 10.1021/ja038949j 125, 16164 (2003); P. V́lez, S. A. Dassie, and E. P. M. Leiva, Phys. Rev. Lett. 95, 045503 (2005).
  • (a) D. I. Gittins and F. Caruso, Angew. Chem., Angew. Chem., Int. Ed. 1433-7851 10.1002/1521-3773(20010817)40:16<3001::AID-ANIE3001>3.0.CO;2-5 40, 3001 (2001); (b) V. J. Gandubert and R. B. Lennox, Langmuir 0743-7463 21, 6532 (2005); (c) D. Leff, L. Brandt, and J. R. Heath, Langmuir 0743-7463 10.1021/la960445u 12, 4723 (1996); (d) E. Podstawka, Y. Ozaki, and L. M. Proniewicz, Appl. Spectrosc. 0003-7028 59, 1516 (2005); (e) F. Chen, X. Li, J. Hihath, Z. Huang, and N. Tao, J. Am. Chem. Soc. 0002-7863 10.1021/ja065864k 128, 15874 (2006); (f) L. Zhao, L. Jensen, and G. C. Schatz, J. Am. Chem. Soc. 0002-7863 10.1021/ja0556326 128, 2911 (2006); (g) C. M. Aikens and G. C. Schatz, J. Phys. Chem. A 110, 13317 (2006).
  • (a) D. I. Gittins and F. Caruso, Angew. Chem., Angew. Chem., Int. Ed. 1433-7851 10.1002/1521-3773(20010817)40:16<3001::AID-ANIE3001>3.0.CO;2-5 40, 3001 (2001); (b) V. J. Gandubert and R. B. Lennox, Langmuir 0743-7463 21, 6532 (2005); (c) D. Leff, L. Brandt, and J. R. Heath, Langmuir 0743-7463 10.1021/la960445u 12, 4723 (1996); (d) E. Podstawka, Y. Ozaki, and L. M. Proniewicz, Appl. Spectrosc. 0003-7028 59, 1516 (2005); (e) F. Chen, X. Li, J. Hihath, Z. Huang, and N. Tao, J. Am. Chem. Soc. 0002-7863 10.1021/ja065864k 128, 15874 (2006); (f) L. Zhao, L. Jensen, and G. C. Schatz, J. Am. Chem. Soc. 0002-7863 10.1021/ja0556326 128, 2911 (2006); (g) C. M. Aikens and G. C. Schatz, J. Phys. Chem. A 110, 13317 (2006).
  • (a) D. I. Gittins and F. Caruso, Angew. Chem., Angew. Chem., Int. Ed. 1433-7851 10.1002/1521-3773(20010817)40:16<3001::AID-ANIE3001>3.0.CO;2-5 40, 3001 (2001); (b) V. J. Gandubert and R. B. Lennox, Langmuir 0743-7463 21, 6532 (2005); (c) D. Leff, L. Brandt, and J. R. Heath, Langmuir 0743-7463 10.1021/la960445u 12, 4723 (1996); (d) E. Podstawka, Y. Ozaki, and L. M. Proniewicz, Appl. Spectrosc. 0003-7028 59, 1516 (2005); (e) F. Chen, X. Li, J. Hihath, Z. Huang, and N. Tao, J. Am. Chem. Soc. 0002-7863 10.1021/ja065864k 128, 15874 (2006); (f) L. Zhao, L. Jensen, and G. C. Schatz, J. Am. Chem. Soc. 0002-7863 10.1021/ja0556326 128, 2911 (2006); (g) C. M. Aikens and G. C. Schatz, J. Phys. Chem. A 110, 13317 (2006).
  • (a) D. I. Gittins and F. Caruso, Angew. Chem., Angew. Chem., Int. Ed. 1433-7851 10.1002/1521-3773(20010817)40:16<3001::AID-ANIE3001>3.0.CO;2-5 40, 3001 (2001); (b) V. J. Gandubert and R. B. Lennox, Langmuir 0743-7463 21, 6532 (2005); (c) D. Leff, L. Brandt, and J. R. Heath, Langmuir 0743-7463 10.1021/la960445u 12, 4723 (1996); (d) E. Podstawka, Y. Ozaki, and L. M. Proniewicz, Appl. Spectrosc. 0003-7028 59, 1516 (2005); (e) F. Chen, X. Li, J. Hihath, Z. Huang, and N. Tao, J. Am. Chem. Soc. 0002-7863 10.1021/ja065864k 128, 15874 (2006); (f) L. Zhao, L. Jensen, and G. C. Schatz, J. Am. Chem. Soc. 0002-7863 10.1021/ja0556326 128, 2911 (2006); (g) C. M. Aikens and G. C. Schatz, J. Phys. Chem. A 110, 13317 (2006).
  • (a) D. I. Gittins and F. Caruso, Angew. Chem., Angew. Chem., Int. Ed. 1433-7851 10.1002/1521-3773(20010817)40:16<3001::AID-ANIE3001>3.0.CO;2-5 40, 3001 (2001); (b) V. J. Gandubert and R. B. Lennox, Langmuir 0743-7463 21, 6532 (2005); (c) D. Leff, L. Brandt, and J. R. Heath, Langmuir 0743-7463 10.1021/la960445u 12, 4723 (1996); (d) E. Podstawka, Y. Ozaki, and L. M. Proniewicz, Appl. Spectrosc. 0003-7028 59, 1516 (2005); (e) F. Chen, X. Li, J. Hihath, Z. Huang, and N. Tao, J. Am. Chem. Soc. 0002-7863 10.1021/ja065864k 128, 15874 (2006); (f) L. Zhao, L. Jensen, and G. C. Schatz, J. Am. Chem. Soc. 0002-7863 10.1021/ja0556326 128, 2911 (2006); (g) C. M. Aikens and G. C. Schatz, J. Phys. Chem. A 110, 13317 (2006).
  • (a) D. I. Gittins and F. Caruso, Angew. Chem., Angew. Chem., Int. Ed. 1433-7851 10.1002/1521-3773(20010817)40:16<3001::AID-ANIE3001>3.0.CO;2-5 40, 3001 (2001); (b) V. J. Gandubert and R. B. Lennox, Langmuir 0743-7463 21, 6532 (2005); (c) D. Leff, L. Brandt, and J. R. Heath, Langmuir 0743-7463 10.1021/la960445u 12, 4723 (1996); (d) E. Podstawka, Y. Ozaki, and L. M. Proniewicz, Appl. Spectrosc. 0003-7028 59, 1516 (2005); (e) F. Chen, X. Li, J. Hihath, Z. Huang, and N. Tao, J. Am. Chem. Soc. 0002-7863 10.1021/ja065864k 128, 15874 (2006); (f) L. Zhao, L. Jensen, and G. C. Schatz, J. Am. Chem. Soc. 0002-7863 10.1021/ja0556326 128, 2911 (2006); (g) C. M. Aikens and G. C. Schatz, J. Phys. Chem. A 110, 13317 (2006).
  • (a) D. I. Gittins and F. Caruso, Angew. Chem., Angew. Chem., Int. Ed. 1433-7851 10.1002/1521-3773(20010817)40:16<3001::AID-ANIE3001>3.0.CO;2-5 40, 3001 (2001); (b) V. J. Gandubert and R. B. Lennox, Langmuir 0743-7463 21, 6532 (2005); (c) D. Leff, L. Brandt, and J. R. Heath, Langmuir 0743-7463 10.1021/la960445u 12, 4723 (1996); (d) E. Podstawka, Y. Ozaki, and L. M. Proniewicz, Appl. Spectrosc. 0003-7028 59, 1516 (2005); (e) F. Chen, X. Li, J. Hihath, Z. Huang, and N. Tao, J. Am. Chem. Soc. 0002-7863 10.1021/ja065864k 128, 15874 (2006); (f) L. Zhao, L. Jensen, and G. C. Schatz, J. Am. Chem. Soc. 0002-7863 10.1021/ja0556326 128, 2911 (2006); (g) C. M. Aikens and G. C. Schatz, J. Phys. Chem. A 110, 13317 (2006).
  • (a) L. M. Demers, M. Östblom, H. Zhang, N.-H. Jang, B. Liedberg, and C. A. Mirkin, J. Am. Chem. Soc. 0002-7863 10.1021/ja0265355 124, 11248 (2002); (b) A. Gourishankar, S. Shukla, K. N. Ganesh, and M. Sastry, J. Am. Chem. Soc. 0002-7863 126, 13186 (2004); (c) M. Östblom, B. Liedberg, L. M. Demers, and C. A. Mirkin, J. Phys. Chem. B 109, 15150 (2005), and references therein.
  • (a) L. M. Demers, M. Östblom, H. Zhang, N.-H. Jang, B. Liedberg, and C. A. Mirkin, J. Am. Chem. Soc. 0002-7863 10.1021/ja0265355 124, 11248 (2002); (b) A. Gourishankar, S. Shukla, K. N. Ganesh, and M. Sastry, J. Am. Chem. Soc. 0002-7863 126, 13186 (2004); (c) M. Östblom, B. Liedberg, L. M. Demers, and C. A. Mirkin, J. Phys. Chem. B 109, 15150 (2005), and references therein.
  • (a) L. M. Demers, M. Östblom, H. Zhang, N.-H. Jang, B. Liedberg, and C. A. Mirkin, J. Am. Chem. Soc. 0002-7863 10.1021/ja0265355 124, 11248 (2002); (b) A. Gourishankar, S. Shukla, K. N. Ganesh, and M. Sastry, J. Am. Chem. Soc. 0002-7863 126, 13186 (2004); (c) M. Östblom, B. Liedberg, L. M. Demers, and C. A. Mirkin, J. Phys. Chem. B 109, 15150 (2005), and references therein.
  • (a) E. S. Kryachko and F. Remacle, in Recent Advances in the Theory of Chemical and Physical Systems, edited by, J.-P. Julien, J. Maruani, D. Mayou, S. Wilson, and, G. Delgado-Barrio, (Springer, Dordrecht, 2006), Vol. 15, pp. 433-450; (b) E. S. Kryachko and F. Remacle, Chem. Phys. Lett. 0009-2614 404, 142 (2005); (c) E. S. Kryachko, A. Karpfen, and F. Remacle, J. Phys. Chem. A 109, 7309 (2005); (d) E. S. Kryachko and F. Remacle, in Theoretical Aspects of Chemical Reactivity, edited by, A. Torro-Labbe, Vol. 16 of Theoretical and Computational Chemistry, edited by, P. Politzer, (Elsevier, Amsterdam, 2006), pp. 219-250.
  • (a) E. S. Kryachko and F. Remacle, in Recent Advances in the Theory of Chemical and Physical Systems, edited by, J.-P. Julien, J. Maruani, D. Mayou, S. Wilson, and, G. Delgado-Barrio, (Springer, Dordrecht, 2006), Vol. 15, pp. 433-450; (b) E. S. Kryachko and F. Remacle, Chem. Phys. Lett. 0009-2614 404, 142 (2005); (c) E. S. Kryachko, A. Karpfen, and F. Remacle, J. Phys. Chem. A 109, 7309 (2005); (d) E. S. Kryachko and F. Remacle, in Theoretical Aspects of Chemical Reactivity, edited by, A. Torro-Labbe, Vol. 16 of Theoretical and Computational Chemistry, edited by, P. Politzer, (Elsevier, Amsterdam, 2006), pp. 219-250.
  • (a) E. S. Kryachko and F. Remacle, in Recent Advances in the Theory of Chemical and Physical Systems, edited by, J.-P. Julien, J. Maruani, D. Mayou, S. Wilson, and, G. Delgado-Barrio, (Springer, Dordrecht, 2006), Vol. 15, pp. 433-450; (b) E. S. Kryachko and F. Remacle, Chem. Phys. Lett. 0009-2614 404, 142 (2005); (c) E. S. Kryachko, A. Karpfen, and F. Remacle, J. Phys. Chem. A 109, 7309 (2005); (d) E. S. Kryachko and F. Remacle, in Theoretical Aspects of Chemical Reactivity, edited by, A. Torro-Labbe, Vol. 16 of Theoretical and Computational Chemistry, edited by, P. Politzer, (Elsevier, Amsterdam, 2006), pp. 219-250.
  • (a) E. S. Kryachko and F. Remacle, in Recent Advances in the Theory of Chemical and Physical Systems, edited by, J.-P. Julien, J. Maruani, D. Mayou, S. Wilson, and, G. Delgado-Barrio, (Springer, Dordrecht, 2006), Vol. 15, pp. 433-450; (b) E. S. Kryachko and F. Remacle, Chem. Phys. Lett. 0009-2614 404, 142 (2005); (c) E. S. Kryachko, A. Karpfen, and F. Remacle, J. Phys. Chem. A 109, 7309 (2005); (d) E. S. Kryachko and F. Remacle, in Theoretical Aspects of Chemical Reactivity, edited by, A. Torro-Labbe, Vol. 16 of Theoretical and Computational Chemistry, edited by, P. Politzer, (Elsevier, Amsterdam, 2006), pp. 219-250.
  • (a) H. Schneider, A. D. Boese, and J. M. Weber, J. Chem. Phys. 0021-9606 10.1063/1.2006092 123, 084307 (2005); (b) H. Nuss and M. Jansen, Angew. Chem., Int. Ed. 1433-7851 45, 4369 (2006); (c) H. Nuss and M. Jansen, Z. Naturforsch. Sect. B, J. Chem. Sci. 61, 1205 (2006); (d) G. S. Shafai, S. Shetty, S. Krishnamurty, and D. G. Kanhere, J. Chem. Phys. 126, 014704 (2007).
  • (a) H. Schneider, A. D. Boese, and J. M. Weber, J. Chem. Phys. 0021-9606 10.1063/1.2006092 123, 084307 (2005); (b) H. Nuss and M. Jansen, Angew. Chem., Int. Ed. 1433-7851 45, 4369 (2006); (c) H. Nuss and M. Jansen, Z. Naturforsch. Sect. B, J. Chem. Sci. 61, 1205 (2006); (d) G. S. Shafai, S. Shetty, S. Krishnamurty, and D. G. Kanhere, J. Chem. Phys. 126, 014704 (2007).
  • (a) H. Schneider, A. D. Boese, and J. M. Weber, J. Chem. Phys. 0021-9606 10.1063/1.2006092 123, 084307 (2005); (b) H. Nuss and M. Jansen, Angew. Chem., Int. Ed. 1433-7851 45, 4369 (2006); (c) H. Nuss and M. Jansen, Z. Naturforsch. Sect. B, J. Chem. Sci. 61, 1205 (2006); (d) G. S. Shafai, S. Shetty, S. Krishnamurty, and D. G. Kanhere, J. Chem. Phys. 126, 014704 (2007).
  • (a) H. Schneider, A. D. Boese, and J. M. Weber, J. Chem. Phys. 0021-9606 10.1063/1.2006092 123, 084307 (2005); (b) H. Nuss and M. Jansen, Angew. Chem., Int. Ed. 1433-7851 45, 4369 (2006); (c) H. Nuss and M. Jansen, Z. Naturforsch. Sect. B, J. Chem. Sci. 61, 1205 (2006); (d) G. S. Shafai, S. Shetty, S. Krishnamurty, and D. G. Kanhere, J. Chem. Phys. 126, 014704 (2007).
  • This has been particularly shown in the recent works of the present authors on the neutral and charged clusters of gold: (a) F. Remacle and E. S. Kryachko, Adv. Quantum Chem. 0065-3276 47, 423 (2004); (b) F. Remacle and E. S. Kryachko, J. Chem. Phys. 122, 044304 (2005); and in the recent reviews in Refs..
  • This has been particularly shown in the recent works of the present authors on the neutral and charged clusters of gold: (a) F. Remacle and E. S. Kryachko, Adv. Quantum Chem. 0065-3276 47, 423 (2004); (b) F. Remacle and E. S. Kryachko, J. Chem. Phys. 122, 044304 (2005); and in the recent reviews in Refs..
  • T. M. Bernhardt, Int. J. Mass. Spectrom. 243, 1 (2005), and references therein.
  • M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, and J. A. Pople, GAUSSIAN 03, Revision A.1, Gaussian, Inc., Pittsburgh, PA, 2003.
  • (a) R. B. Ross, J. M. Powers, T. Atashroo, W. C. Ermler, L. A. LaJohn, and P. A. Christiansen, J. Chem. Phys. 0021-9606 10.1063/1.458934 93, 6654 (1990); (b) P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448799 82, 270 (1985); P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 299 (1985).
  • (a) R. B. Ross, J. M. Powers, T. Atashroo, W. C. Ermler, L. A. LaJohn, and P. A. Christiansen, J. Chem. Phys. 0021-9606 10.1063/1.458934 93, 6654 (1990); (b) P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448799 82, 270 (1985); P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 299 (1985).
  • (a) R. B. Ross, J. M. Powers, T. Atashroo, W. C. Ermler, L. A. LaJohn, and P. A. Christiansen, J. Chem. Phys. 0021-9606 10.1063/1.458934 93, 6654 (1990); (b) P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448799 82, 270 (1985); P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 299 (1985).
  • F. M. Abu-Awwad, J. Mol. Struct.: THEOCHEM 683, 57 (2004), and references therein.
  • C. G. Pimentel and A. L. McClellan, The Hydrogen Bond (Freeman, San Francisco, 1960); The Hydrogen Bond. Recent Developments in Theory and Experiments, edited by, P. Schuster, G. Zundel, and, C. Sandorfy, (North-Holland, Amsterdam, 1976).
  • C. G. Pimentel and A. L. McClellan, The Hydrogen Bond (Freeman, San Francisco, 1960); The Hydrogen Bond. Recent Developments in Theory and Experiments, edited by, P. Schuster, G. Zundel, and, C. Sandorfy, (North-Holland, Amsterdam, 1976).
  • (a) D. Feller, E. D. Glendening, and W. A. de Jong, J. Chem. Phys. 0021-9606 10.1063/1.477814 110, 1475 (1999); (b) H. M. Lee, S. K. Min, E. C. Lee, J.-H. Min, S. Odde, and K. S. Kim, J. Chem. Phys. 0021-9606 10.1063/1.1849134 122, 064314 (2005); (c) H. M. Lee, M. Diefenbach, S. B. Suh, P. Tarakeshwar, and K. S. Kim, J. Chem. Phys. 123, 074328 (2005).
  • (a) D. Feller, E. D. Glendening, and W. A. de Jong, J. Chem. Phys. 0021-9606 10.1063/1.477814 110, 1475 (1999); (b) H. M. Lee, S. K. Min, E. C. Lee, J.-H. Min, S. Odde, and K. S. Kim, J. Chem. Phys. 0021-9606 10.1063/1.1849134 122, 064314 (2005); (c) H. M. Lee, M. Diefenbach, S. B. Suh, P. Tarakeshwar, and K. S. Kim, J. Chem. Phys. 123, 074328 (2005).
  • (a) D. Feller, E. D. Glendening, and W. A. de Jong, J. Chem. Phys. 0021-9606 10.1063/1.477814 110, 1475 (1999); (b) H. M. Lee, S. K. Min, E. C. Lee, J.-H. Min, S. Odde, and K. S. Kim, J. Chem. Phys. 0021-9606 10.1063/1.1849134 122, 064314 (2005); (c) H. M. Lee, M. Diefenbach, S. B. Suh, P. Tarakeshwar, and K. S. Kim, J. Chem. Phys. 123, 074328 (2005).
  • (a) J. Hrusák, D. Scröder, and H. Schwarz, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(94)87104-3 225, 416 (1994); (b) H. M. Lee, S. K. Min, E. C. Lee, J.-H. Min, S. Odde, and K. S. Kim, J. Chem. Phys. 122, 064314 (2005).
  • (a) J. Hrusák, D. Scröder, and H. Schwarz, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(94)87104-3 225, 416 (1994); (b) H. M. Lee, S. K. Min, E. C. Lee, J.-H. Min, S. Odde, and K. S. Kim, J. Chem. Phys. 122, 064314 (2005).
  • The experimental value of IEexpt (Au) =9.225 67 eV: (a) C. E. Moore, Atomic Energy Levels, Natl. Bur. of Stand. (U.S.) Circ. No. 467 (U.S. GPO, Washington, DC, 1958), Vol. III; (b) For comparison with other methods see, e.g., W. Liu and C. van Wüllen, J. Chem. Phys. 0021-9606 10.1063/1.478237 110, 3730 (1999); (c) K. A. Barakat, T. R. Cundari, H. Rabaâ, and M. A. Omary, J. Phys. Chem. B 1089-5647 110, 14645 (2006), and references therein; (d) the experimental value of EAexpt (Au) =2.927±0.050 eV: K. J. Taylor, C. L. Pettiette-Hall, O. Cheshnovsky, and R. E. Smalley, J. Chem. Phys. 0021-9606 10.1063/1.461927 96, 3319 (1992); (e) EAtheor (Au) =2.33 eV: S. Buckart, G. Ganteför, Y. D. Kim, and P. Jena, J. Am. Chem. Soc. 0002-7863 125, 14205 (2003) and EAtheor (Au) =2.166 eV: (f) A. M. Joshi, W. N. Delgass, and K. T. Thomson, J. Phys. Chem. B 109, 22392 (2005).
  • The experimental value of IEexpt (Au) =9.225 67 eV: (a) C. E. Moore, Atomic Energy Levels, Natl. Bur. of Stand. (U.S.) Circ. No. 467 (U.S. GPO, Washington, DC, 1958), Vol. III; (b) For comparison with other methods see, e.g., W. Liu and C. van Wüllen, J. Chem. Phys. 0021-9606 10.1063/1.478237 110, 3730 (1999); (c) K. A. Barakat, T. R. Cundari, H. Rabaâ, and M. A. Omary, J. Phys. Chem. B 1089-5647 110, 14645 (2006), and references therein; (d) the experimental value of EAexpt (Au) =2.927±0.050 eV: K. J. Taylor, C. L. Pettiette-Hall, O. Cheshnovsky, and R. E. Smalley, J. Chem. Phys. 0021-9606 10.1063/1.461927 96, 3319 (1992); (e) EAtheor (Au) =2.33 eV: S. Buckart, G. Ganteför, Y. D. Kim, and P. Jena, J. Am. Chem. Soc. 0002-7863 125, 14205 (2003) and EAtheor (Au) =2.166 eV: (f) A. M. Joshi, W. N. Delgass, and K. T. Thomson, J. Phys. Chem. B 109, 22392 (2005).
  • The experimental value of IEexpt (Au) =9.225 67 eV: (a) C. E. Moore, Atomic Energy Levels, Natl. Bur. of Stand. (U.S.) Circ. No. 467 (U.S. GPO, Washington, DC, 1958), Vol. III; (b) For comparison with other methods see, e.g., W. Liu and C. van Wüllen, J. Chem. Phys. 0021-9606 10.1063/1.478237 110, 3730 (1999); (c) K. A. Barakat, T. R. Cundari, H. Rabaâ, and M. A. Omary, J. Phys. Chem. B 1089-5647 110, 14645 (2006), and references therein; (d) the experimental value of EAexpt (Au) =2.927±0.050 eV: K. J. Taylor, C. L. Pettiette-Hall, O. Cheshnovsky, and R. E. Smalley, J. Chem. Phys. 0021-9606 10.1063/1.461927 96, 3319 (1992); (e) EAtheor (Au) =2.33 eV: S. Buckart, G. Ganteför, Y. D. Kim, and P. Jena, J. Am. Chem. Soc. 0002-7863 125, 14205 (2003) and EAtheor (Au) =2.166 eV: (f) A. M. Joshi, W. N. Delgass, and K. T. Thomson, J. Phys. Chem. B 109, 22392 (2005).
  • The experimental value of IEexpt (Au) =9.225 67 eV: (a) C. E. Moore, Atomic Energy Levels, Natl. Bur. of Stand. (U.S.) Circ. No. 467 (U.S. GPO, Washington, DC, 1958), Vol. III; (b) For comparison with other methods see, e.g., W. Liu and C. van Wüllen, J. Chem. Phys. 0021-9606 10.1063/1.478237 110, 3730 (1999); (c) K. A. Barakat, T. R. Cundari, H. Rabaâ, and M. A. Omary, J. Phys. Chem. B 1089-5647 110, 14645 (2006), and references therein; (d) the experimental value of EAexpt (Au) =2.927±0.050 eV: K. J. Taylor, C. L. Pettiette-Hall, O. Cheshnovsky, and R. E. Smalley, J. Chem. Phys. 0021-9606 10.1063/1.461927 96, 3319 (1992); (e) EAtheor (Au) =2.33 eV: S. Buckart, G. Ganteför, Y. D. Kim, and P. Jena, J. Am. Chem. Soc. 0002-7863 125, 14205 (2003) and EAtheor (Au) =2.166 eV: (f) A. M. Joshi, W. N. Delgass, and K. T. Thomson, J. Phys. Chem. B 109, 22392 (2005).
  • The experimental value of IEexpt (Au) =9.225 67 eV: (a) C. E. Moore, Atomic Energy Levels, Natl. Bur. of Stand. (U.S.) Circ. No. 467 (U.S. GPO, Washington, DC, 1958), Vol. III; (b) For comparison with other methods see, e.g., W. Liu and C. van Wüllen, J. Chem. Phys. 0021-9606 10.1063/1.478237 110, 3730 (1999); (c) K. A. Barakat, T. R. Cundari, H. Rabaâ, and M. A. Omary, J. Phys. Chem. B 1089-5647 110, 14645 (2006), and references therein; (d) the experimental value of EAexpt (Au) =2.927±0.050 eV: K. J. Taylor, C. L. Pettiette-Hall, O. Cheshnovsky, and R. E. Smalley, J. Chem. Phys. 0021-9606 10.1063/1.461927 96, 3319 (1992); (e) EAtheor (Au) =2.33 eV: S. Buckart, G. Ganteför, Y. D. Kim, and P. Jena, J. Am. Chem. Soc. 0002-7863 125, 14205 (2003) and EAtheor (Au) =2.166 eV: (f) A. M. Joshi, W. N. Delgass, and K. T. Thomson, J. Phys. Chem. B 109, 22392 (2005).
  • The experimental value of IEexpt (Au) =9.225 67 eV: (a) C. E. Moore, Atomic Energy Levels, Natl. Bur. of Stand. (U.S.) Circ. No. 467 (U.S. GPO, Washington, DC, 1958), Vol. III; (b) For comparison with other methods see, e.g., W. Liu and C. van Wüllen, J. Chem. Phys. 0021-9606 10.1063/1.478237 110, 3730 (1999); (c) K. A. Barakat, T. R. Cundari, H. Rabaâ, and M. A. Omary, J. Phys. Chem. B 1089-5647 110, 14645 (2006), and references therein; (d) the experimental value of EAexpt (Au) =2.927±0.050 eV: K. J. Taylor, C. L. Pettiette-Hall, O. Cheshnovsky, and R. E. Smalley, J. Chem. Phys. 0021-9606 10.1063/1.461927 96, 3319 (1992); (e) EAtheor (Au) =2.33 eV: S. Buckart, G. Ganteför, Y. D. Kim, and P. Jena, J. Am. Chem. Soc. 0002-7863 125, 14205 (2003) and EAtheor (Au) =2.166 eV: (f) A. M. Joshi, W. N. Delgass, and K. T. Thomson, J. Phys. Chem. B 109, 22392 (2005).
  • (a) The chain structure is the most stable conformer of Au3 lying below the triangular one by 2.4 kcal mol-1, after ZPVE. However, within a so-called DFT error (see Ref. and references therein), both these clusters are considered as almost isoenergetic; (b) the experimental value of IEexpt (Au3) =7.15 eV
  • (a) The chain structure is the most stable conformer of Au3 lying below the triangular one by 2.4 kcal mol-1, after ZPVE. However, within a so-called DFT error (see Ref. and references therein), both these clusters are considered as almost isoenergetic; (b) the experimental value of IEexpt (Au3) =7.15 eV
  • (a) The chain structure is the most stable conformer of Au3 lying below the triangular one by 2.4 kcal mol-1, after ZPVE. However, within a so-called DFT error (see Ref. and references therein), both these clusters are considered as almost isoenergetic; (b) the experimental value of IEexpt (Au3) =7.15 eV
  • (a) The chain structure is the most stable conformer of Au3 lying below the triangular one by 2.4 kcal mol-1, after ZPVE. However, within a so-called DFT error (see Ref. and references therein), both these clusters are considered as almost isoenergetic; (b) the experimental value of IEexpt (Au3) =7.15 eV
  • (a) The chain structure is the most stable conformer of Au3 lying below the triangular one by 2.4 kcal mol-1, after ZPVE. However, within a so-called DFT error (see Ref. and references therein), both these clusters are considered as almost isoenergetic; (b) the experimental value of IEexpt (Au3) =7.15 eV
  • (a) The chain structure is the most stable conformer of Au3 lying below the triangular one by 2.4 kcal mol-1, after ZPVE. However, within a so-called DFT error (see Ref. and references therein), both these clusters are considered as almost isoenergetic; (b) the experimental value of IEexpt (Au3) =7.15 eV
  • (a) The chain structure is the most stable conformer of Au3 lying below the triangular one by 2.4 kcal mol-1, after ZPVE. However, within a so-called DFT error (see Ref. and references therein), both these clusters are considered as almost isoenergetic; (b) the experimental value of IEexpt (Au3) =7.15 eV
  • (a) J. Li, X. Li, H.-J. Zhai, and L.-S. Wang, Science 0036-8075 10.1126/science.1079879 299, 864 (2003); (b) R. B. King, Z. Chen, and P. v. R. Schleyer, Inorg. Chem. 0020-1669 10.1021/ic049628r 43, 4564 (2004); (c) see also E. S. Kryachko and F. Remacle, Int. J. Quantum Chem. 108, 000 (2008) for a review on the 20-nanogold cluster.
  • (a) J. Li, X. Li, H.-J. Zhai, and L.-S. Wang, Science 0036-8075 10.1126/science.1079879 299, 864 (2003); (b) R. B. King, Z. Chen, and P. v. R. Schleyer, Inorg. Chem. 0020-1669 10.1021/ic049628r 43, 4564 (2004); (c) see also E. S. Kryachko and F. Remacle, Int. J. Quantum Chem. 108, 000 (2008) for a review on the 20-nanogold cluster.
  • (a) J. Li, X. Li, H.-J. Zhai, and L.-S. Wang, Science 0036-8075 10.1126/science.1079879 299, 864 (2003); (b) R. B. King, Z. Chen, and P. v. R. Schleyer, Inorg. Chem. 0020-1669 10.1021/ic049628r 43, 4564 (2004); (c) see also E. S. Kryachko and F. Remacle, Int. J. Quantum Chem. 108, 000 (2008) for a review on the 20-nanogold cluster.
  • L. H. Skibsted and J. Bjerrum, Acta Chem. Scand., Ser. A 28, 740 (1974).
  • (a) L. M. Molina and B. Hammer, J. Catal. 0021-9517 10.1016/j.jcat.2005. 04.037 233, 399 (2005);
  • (b) H.-F. Zhang, M. Stender, R. Zhang, C. Wang, J. Li, and L.-S. Wang, J. Phys. Chem. B 108, 12259 (2004).

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