Landmarks in the theory of mass spectra

Intramolecular vibrational redistribution (IVR); Maximum entropy method; Phase space sampling; Statistical theory; Transition state; Statistical theory of mass spectra; RRKM theory; Statistical adiabatic channel model; Potential energy surface crossing; Maximum entropy theory; Kinetic energy release distributions

Abstract :

[en] Statistical theories of mass spectra are based on two assumptions. The first one, which postulates efficient phase space sampling, is substantiated by various experimentation and is now theoretically much better understood. The efficiency of phase space sampling can be estimated and is found to be quite good. Much effort remains to be done concerning the second assumption. A new impetus should be given to the concept of transition state. A better understanding of the role played by the conservation of angular momentum, the exact significance of transition state switching, and the incorporation of quantum effects are set as goals for the future. © 2000 Elsevier Science B.V.

Disciplines :

Chemistry

Author, co-author :

Lorquet, Jean-Claude ; Université de Liège > Relations académiques et scientifiques (Sciences)

Language :

English

Title :

Landmarks in the theory of mass spectra

Publication date :

2000

Journal title :

International Journal of Mass Spectrometry

ISSN :

1387-3806

Publisher :

Elsevier, Netherlands

Volume :

200

Issue :

1-3

Pages :

43-56

Peer reviewed :

Peer Reviewed verified by ORBi

Available on ORBi :

since 08 October 2015

Statistics

Number of views

64 (2 by ULiège)

Number of downloads

1 (0 by ULiège)

More statistics

Scopus citations^®

Scopus citations^®
without self-citations

OpenCitations

OpenAlex citations

See more details

publications

supporting

mentioning

contrasting

Smart Citations

Citing PublicationsSupportingMentioningContrasting

View Citations

See how this article has been cited at scite.ai

scite shows how a scientific paper has been cited by providing the context of the citation, a classification describing whether it supports, mentions, or contrasts the cited claim, and a label indicating in which section the citation was made.

Bibliography

Trans. Faraday Soc. 1938, 34:1.
Guggenheim E.A., Weiss J. Trans. Faraday Soc. 1938, 34:57.
Adv. Mass Spectrom. 1959, 1.
Baer T. Adv. Chem. Phys. 1986, 64:111.
Baer T., Booze J., Weitzel K.M., Vacuum Ultraviolet Photoionization and Photodissociation of Molecules and Clusters, C.Y. Ng (Ed.), World Scientific, Singapore; 1991.
Baer T., Encyclopedia of Spectroscopy and Spectrometry, J.C. Lindon, G.E. Tranter, J.L. Holmes (Eds.), Academic, San Diego; 2000.
Petterson E., Lindholm E. Ark. Fys. 1963, 24:49.
Von Koch H. Ark. Fys. 1965, 28:529.
Lim S.H., Choe J.C., Kim M.S. J. Phys. Chem. A 1998, 102:7375.
Leyh B., Encyclopedia of Spectroscopy and Spectrometry, J.C. Lindon, G.E. Tranter, J.L. Holmes (Eds.), Academic, San Diego; 2000.
Lifshitz C. Mass Spectrom. Rev. 1982, 1:309.
Lifshitz C. Adv. Mass Spectrom. 1992, 12:315.
Lifshitz C. Adv. Mass Spectrom. 1978, 7 A:3.
Lifshitz C. J. Phys. Chem. 1983, 87:2304.
Lifshitz C. Adv. Mass Spectrom. 1989, 11 A:713.
Chesnavich W.J., Bowers M.T., Gas-Phase Ion Chemistry, M.T. Bowers (Ed.), Academic, New York; 1979.
Chesnavich W.J., Bowers M.T. Prog. React. Kinet. 1982, 11:137.
Baer T., Hase W.L. Unimolecular Reaction Dynamics: Theory and Experiments, Oxford University Press, New York; 1996.
Tolman R.C. The Principlesof Statistical Mechanics, Oxford University Press, London; 1938.
Rosenstock H.M., Krauss M. Adv. Mass Spectrom. 1963, 2:251.
Pechukas P., Dynamics of Molecular Collisions, W.H. Miller (Ed.), Plenum, New York; 1976.
Truhlar D.G., Hase W.L., Hynes J.T. J. Phys. Chem. 1983, 87:2664.
Truhlar D.G., Garrett B.C., Klippenstein S.J. J. Phys. Chem. 1996, 100:12771.
Forst W. Theory of Unimolecular Reactions, Academic, New York; 1973.
Troe J., Physical Chemistry, An Advanced Treatise, W. Jost (Ed.), Academic, New York; 1975.
Hase W.L., Dynamics of molecular collisions, W.H. Miller (Ed.), Plenum, New York; 1976.
Gilbert R.G., Smith S.C. Theory of Unimolecular and Recombination Reactions, Blackwell Scientific, Oxford, UK; 1990.
Lorquet J.C. Mass Spectrom. Rev. 1994, 13:233.
Marcelin M. Ann. Phys. (Paris) 1915, 3:158.
Wigner E. Trans. Faraday Soc. 1938, 34:29.
Hase W.L. Acc. Chem. Res. 1983, 16:258.
Gaedtke H., Troe J. Ber. Bunsenges. Phys. Chem. 1973, 77:24.
Light J.C. J. Chem. Phys. 1964, 40:3221.
Pechukas P., Light J.C. J. Chem. Phys. 1965, 42:3281.
Klots C.E. J. Phys. Chem. 1971, 75:1526.
Klots C.E. Z. Naturforsch. 1972, 27 A:553.
Klots C.E. J. Chem. Phys. 1976, 64:4269.
Klots C.E. Acc. Chem. Res. 1988, 21:16.
Chesnavich W.J., Bowers M.T. J. Am. Chem. Soc. 1977, 99:1705.
Chesnavich W.J., Bass L., Su T., Bowers M.T. J. Chem. Phys. 1981, 74:2228.
Gioumousis G., Stevenson D.P. J. Chem. Phys. 1958, 29:294.
Klots C.E. J. Chem. Phys. 1993, 98:1110.
Bowers M.T., Jarrold M.F., Wagner-Redeker W., Kemper P.R., Bass L.M. Faraday Discuss. Chem. Soc. 1983, 75:57.
Hase W.L., Potential Energy Surfaces and Dynamics Calculations, D.G. Truhlar (Ed.), Plenum, New York; 1981.
Shukla A.K., Futrell J.H., Encyclopedia of Spectroscopy and Spectrometry, J.C. Lindon, G.E. Tranter, J.L. Holmes (Eds.), Academic, San Diego; 2000.
Ma N.L., Radom L., Collins M.A. J. Chem. Phys. 1992, 96:1093.
Ma N.L., Radom L., Collins M.A. J. Chem. Phys. 1992, 97:1612.
Helgaker T., Uggerud E., Jensen H.J.A. Chem. Phys. Lett. 1990, 173:145.
Uggerud E., Helgaker T. J. Am. Chem. Soc. 1992, 114:4265.
Rhee Y.M., Lee T.G., Park S.C., Kim M.S. J. Chem. Phys. 1997, 106:1003.
Rhee Y.M., Kim M.S. J. Chem. Phys. 1998, 109:5363.
Hutchinson J.S., Dynamics of Molecules and Chemical Reactions, R.E. Wyatt, J.Z.H. Zhang (Eds.), Marcel Dekker, New York; 1996.
Klots C.E. J. Chem. Phys. 1973, 58:5364.
Klots C.E., Unimolecular and Bimolecular Reaction Dynamics, C.Y. Ng, T. Baer, I. Powis (Eds.), Wiley, Chichester, UK; 1994.
Quack M., Troe J. Ber. Bunsenges. Phys. Chem. 1974, 78:240.
Troe J. J. Chem. Phys. 1981, 75:226.
Troe J. J. Chem. Phys. 1983, 79:6017.
Troe J. J. Chem. Phys. 1987, 87:2773.
Ruttink P.J.A. J. Phys. Chem. 1987, 91:703.
Schröder D., Oref I., Hrusak J., Weiske T., Nikitin E.E., Zummack W., Schwarz H. J. Phys. Chem. A 1999, 103:4609.
Jensen F. Introduction to Computational Chemistry, Wiley, Chichester; 1999.
Scott A.P., Radom L. J. Phys. Chem. 1996, 100:16502.
Grützmacher H.F., Encyclopedia of Spectroscopy and Spectrometry, J.C. Lindon, G.E. Tranter, J.L. Holmes (Eds.), Academic, San Diego; 2000.
Burgers P.C., Terlouw J.K., Encyclopedia of Spectroscopy and Spectrometry, J.C. Lindon, G.E. Tranter, J.L. Holmes (Eds.), Academic, San Diego; 2000.
Koch W., Liu B., Von Rague Schleyer P. J. Am. Chem. Soc. 1989, 111:3479.
Koch W., Von Rague Schleyer P., Buzek P., Liu B. Croatica Chim. Acta 1992, 65:655.
Hoxha A., Locht R., Lorquet A.J., Lorquet J.C., Leyh B. J. Chem. Phys. 1999, 111:9259.
Van der Hart W.J. Int. J. Mass Spectrom. Ion Processes 1998, 176:23.
Bouchoux G., Choret N., Flammang R. Int. J. Mass Spectrom. 2000, 195-196:225.
Chalk A.J., Mayer P.M., Radom L. Int. J. Mass Spectrom. 2000, 194:181.
Wiberg K.B., Von Rague Schleyer P., Streitwieser A. Can. J. Chem. 1996, 74:892.
Lorquet J.C., The Structure, Energetics and Dynamics of Organic Ions, T. Baer, C.Y. Ng, I. Powis (Eds.), Wiley, Chichester, UK; 1996.
Harvey J.N., Aschi M. Phys. Chem. Chem. Phys. 1999, 1:5555.
Aschi M., Grandinetti F. J. Chem. Phys. 1999, 111:6759.
De Froidmont Y., Lorquet A.J., Lorquet J.C. J. Phys. Chem. 1991, 95:4220.
Shukla A.K., Futrell J.H. Mass Spectrom. Rev. 1993, 12:211.
Yarkony D.R. Acc. Chem. Res. 1998, 31:511.
Köppel H. Chem. Phys. 1983, 77:359.
Köppel H., Domcke W., Cederbaum L.S. Adv. Chem. Phys. 1984, 57:59.
Lorquet J.C. Adv. Mass Spectrom. 1980, 8:3.
Lorquet J.C., Barbier C., Leyh-Nihant B. Adv. Mass Spectrom. 1986, 10:71.
Leitner D.M., Köppel H., Cederbaum L.S. J. Chem. Phys. 1996, 104:434.
Leonardi E., Petrongolo C., Hirsch G., Buenker R.J. J. Chem. Phys. 1996, 105:9051.
Santoro F. J. Chem. Phys. 1998, 109:1824.
Salzgeber R.F., Mandelshtam V.A., Schlier C., Taylor H.S. J. Chem. Phys. 1999, 110:3756.
Lifshitz C., Long F.A. J. Phys. Chem. 1965, 69:3746.
Galloy C., Lecomte C., Lorquet J.C. J. Chem. Phys. 1982, 77:4522.
Roorda M., Lorquet A.J., Lorquet J.C. J. Phys. Chem. 1991, 95:9118.
Heller E.J. Acc. Chem. Res. 1981, 14:368.
Lorquet J.C., Pavlov-Verevkin V.B. J. Chem. Phys. 1990, 93:520.
Lorquet J.C., Engel Y.M., Levine R.D. Chem. Phys. Lett. 1990, 175:461.
Pavlov-Verevkin V.B., Lorquet J.C. J. Chem. Phys. 1996, 104:1362.
Lorquet J.C., Pavlov-Verevkin V.B., Delwiche J., Froidmont E., Lorquet A.J. ACH-Models Chem. 1997, 134:679.
Levine R.D., Kinsey J.L., Atom-Molecule Collision Theory: A Guide for the Experimentalist, R.B. Bernstein (Ed.), Plenum, New York; 1979.
Levine R.D. Adv. Chem. Phys. 1981, 47:239.
Levine R.D., Theory of Chemical Reaction Dynamics, M. Baer (Ed.), CRC, Boca Raton, FL; 1985.
Levine R.D., Bemstein R.B. Molecular Reaction Dynamics and Chemical Reactivity, Oxford University, New York; 1987.
Alhassid Y., Levine R.D. J. Chem. Phys. 1977, 67:4321.
Illenberger E., Momigny J. Gaseous Molecular Ions, Springer, New York; 1992.
Lifshitz C. Int. J. Mass Spectrom. Ion Phys. 1982, 43:179.
Urbain P., Remacle F., Leyh B., Lorquet J.C. J. Phys. Chem. 1996, 100:8003.
Urbain P., Leyh B., Remacle F., Lorquet A.J., Flammang R., Lorquet J.C. J. Chem. Phys. 1999, 110:2911.
Urbain P., Leyh B., Remacle F., Lorquet J.C. Int. J. Mass Spectrom. 1999, 185-186:155.
Lorquet J.C. J. Phys. Chem. A 2000, 104:5422.
Lorquet J.C. Int. J. Mass Spectrom. 2000, 201:59.
Ewing G.E. J. Chem. Phys. 1980, 72:2096.
Levine R.D. Ber. Bunsenges. Phys. Chem. 1974, 78:111.
Sewell T., Thompson D.L., Levine R.D. J. Phys. Chem. 1992, 96:8006.
Hase W.L., Wolf R.J., Potential Energy Surfaces and Dynamics Calculations, D.G. Truhlar (Ed.), Plenum, New York; 1981.
Heinrich N., Louage F., Lifshitz C., Schwarz H. J. Am. Chem. Soc. 1988, 110:8183.
Shao J.D., Baer T., Morrow J.C., Fraser-Monteiro M.L. J. Chem. Phys. 1987, 87:5242.
Booze J.A., Baer T. J. Phys. Chem. 1992, 96:5710.
Booze J.A., Baer T. J. Phys. Chem. 1992, 96:5715.
Lifshitz C. Acc. Chem. Res. 1994, 27:138.
Moon J.H., Choe J.C., Kim M.S. J. Phys. Chem. A 2000, 104:458.
Leyh-Nihant B., Lorquet J.C. J. Chem. Phys. 1988, 88:5606.
Schröder D., Sülzle D., Dutuit O., Baer T., Schwarz H. J. Am. Chem. Soc. 1994, 116:6395.
Zhao R., Shukla A.K., Futrell J.H. Int. J. Mass Spectrom. 1999, 185-186:847.
Klots C.E. J. Chem. Phys. 1993, 98:206.
Aubanel E., Wardlaw D., Zhu L., Hase W.L. Int. Rev. Phys. Chem. 1991, 10:249.
Desouter-Lecomte M., Chapuisat X. Phys. Chem. Chem. Phys. 1999, 1:2635.
Remacle F., Desouter-Lecomte M., Lorquet J.C. Chem. Phys. 1991, 153:201.

Similar publications

Sorry the service is unavailable at the moment. Please try again later.

Name	Provider / Domaine	Expiration	Description
JSESSIONID	Oracle Corporation www.uliege.be	Session	General purpose platform session cookie, used by sites written in JSP. Usually used to maintain an anonymous user session by the server.
CookieScriptConsent	CookieScript .uliege.be	1 year	This cookie is used by Cookie-Script.com service to remember visitor cookie consent preferences. It is necessary for Cookie-Script.com cookie banner to work properly.

Name	Provider / Domaine	Expiration	Description
_pk_id	InnoCraft Ltd .uliege.be	1 year	Used to store a few details about the user such as the unique visitor ID
_pk_ses	InnoCraft Ltd .uliege.be	30 minutes	Short lived cookies used to temporarily store data for the visit
_pk_ref	InnoCraft Ltd .uliege.be	6 months	Used to store the attribution information, the referrer initially used to visit the website