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Titolo:
Theoretical study of the structure of phenol-ammonia complexes subject to proton transfer
Autore:
Siebrand, W; Zgierski, MZ;
Indirizzi:
Natl Res Council Canada, Steacie Inst Mol Sci, Ottawa, ON K1A 0R6, Canada Natl Res Council Canada Ottawa ON Canada K1A 0R6 tawa, ON K1A 0R6, Canada
Titolo Testata:
CHEMICAL PHYSICS LETTERS
fascicolo: 1-3, volume: 334, anno: 2001,
pagine: 127 - 135
SICI:
0009-2614(20010202)334:1-3<127:TSOTSO>2.0.ZU;2-T
Fonte:
ISI
Lingua:
ENG
Soggetto:
EXCITED-STATE; THRESHOLD SIZE; 1-NAPHTHOL-CENTER-DOT(NH3)(N) COMPLEXES; CLUSTERS; PHENOL-(NH3)N; CHEMISTRY; N=4;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
20
Recensione:
Indirizzi per estratti:
Indirizzo: Zgierski, MZ Natl Res Council Canada, Steacie Inst Mol Sci, 100 Sussex Dr,Ottawa, ON K1A 0R6, Canada Natl Res Council Canada 100 Sussex Dr Ottawa ONCanada K1A 0R6
Citazione:
W. Siebrand e M.Z. Zgierski, "Theoretical study of the structure of phenol-ammonia complexes subject to proton transfer", CHEM P LETT, 334(1-3), 2001, pp. 127-135

Abstract

Structures and energies are reported of several phenol-ammonia complexes before and after excited-state proton transfer. Structures stable after thistransfer are found for four 1:5 conformers, two 1:4 conformers and one 1:3conformer. In two excited 1:5 conformers and one excited 1:4 conformer transfer is exothermic across a fairly low barrier. The results are used to analyze the observed transfer dynamics. (C) 2001 Elsevier Science B.V. All rights reserved.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 30/11/20 alle ore 16:30:18