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Titolo:
Rydberg electron-transfer spectroscopy and ab initio studies of dimethylsulfoxide-water neutral and anion dimers
Autore:
Carles, S; Desfrancois, C; Schermann, JP; Berges, J; Houee-Levin, C;
Indirizzi:
Univ Paris 13, Phys Lasers Lab, F-93430 Villetaneuse, France Univ Paris 13 Villetaneuse France F-93430 , F-93430 Villetaneuse, France Univ Paris 06, Chim Theor Lab, F-75252 Paris, France Univ Paris 06 ParisFrance F-75252 Chim Theor Lab, F-75252 Paris, France Univ Paris 11, LPCR, F-91405 Paris, France Univ Paris 11 Paris France F-91405 Paris 11, LPCR, F-91405 Paris, France
Titolo Testata:
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
fascicolo: 1-3, volume: 205, anno: 2001,
pagine: 227 - 232
SICI:
1387-3806(20010220)205:1-3<227:RESAAI>2.0.ZU;2-F
Fonte:
ISI
Lingua:
ENG
Soggetto:
MOLECULAR-DYNAMICS SIMULATION; DIMETHYL SULFOXIDE MIXTURES; DIPOLE-BOUND ANIONS; ASSOCIATION; POTENTIALS; ATTACHMENT; ENERGIES; BINDING; FORCE; ATOMS;
Keywords:
Rydberg electron-transfer spectroscopy;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
26
Recensione:
Indirizzi per estratti:
Indirizzo: Schermann, JP Univ Paris 13, Phys Lasers Lab, F-93430 Villetaneuse, FranceUniv Paris 13 Villetaneuse France F-93430 etaneuse, France
Citazione:
S. Carles et al., "Rydberg electron-transfer spectroscopy and ab initio studies of dimethylsulfoxide-water neutral and anion dimers", INT J MASS, 205(1-3), 2001, pp. 227-232

Abstract

Very low energy electron attachment to DMSO and DMSO-water clusters is studied by means of the Rydberg electron-transfer spectroscopy method. Only DMSO- and (DMSO-H2O)(-) anions, with excess electrons in diffuse orbitals, are observed, and the corresponding excess electron-binding energies are, respectively, 12.7 and 3.6 meV. The relative energies and equilibrium geometries of DMSO, DMSO-H2O, and their anions are determined by means of MP2 and DFT calculations and compared to experimental results. (Int J Mass Spectrom 205 (2001) 227-232) (C) 2001 Elsevier Science B.V.

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Documento generato il 09/07/20 alle ore 13:03:06