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Titolo:
Solvent effects on metal to ligand charge transfer excitations
Autore:
Hush, NS; Reimers, JR;
Indirizzi:
Univ Sydney, Sch Chem, Sydney, NSW 2006, Australia Univ Sydney Sydney NSWAustralia 2006 h Chem, Sydney, NSW 2006, Australia Univ Sydney, Dept Biochem, Sydney, NSW 2006, Australia Univ Sydney SydneyNSW Australia 2006 iochem, Sydney, NSW 2006, Australia
Titolo Testata:
COORDINATION CHEMISTRY REVIEWS
, volume: 177, anno: 1998,
pagine: 37 - 60
SICI:
0010-8545(199810)177:<37:SEOMTL>2.0.ZU;2-6
Fonte:
ISI
Lingua:
ENG
Soggetto:
VIBRATIONAL STARK SPECTROSCOPY; ENERGY PERTURBATION-METHODS; ELECTRONIC-SPECTRA; EXCITED-STATES; IONIC SPECTRA; MOLECULAR-DYNAMICS; WATER SOLUTION; NUCLEIC-ACIDS; LIQUID-STATE; FORCE-FIELD;
Keywords:
metal to ligand charge transfer; solvent shift; mono- and di-metal complexes;
Tipo documento:
Review
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
68
Recensione:
Indirizzi per estratti:
Indirizzo: Reimers, JR Univ Sydney, Sch Chem, Sydney, NSW 2006, Australia Univ Sydney Sydney NSW Australia 2006 ey, NSW 2006, Australia
Citazione:
N.S. Hush e J.R. Reimers, "Solvent effects on metal to ligand charge transfer excitations", COORD CH RE, 177, 1998, pp. 37-60

Abstract

The method for calculating solvent shifts on metal to ligand charge transfer (MLCT) and other electronic absorption bands involving charge transfer (e.g. ligand to metal and organic charge transfer) developed by Zeng, Hush and Reimers, henceforth named ZHR-SS, is reviewed. Also included are simple models for MLCT processes in mono- and di-metal complexes and a descriptionof key aspects of modern electroabsorption spectroscopic techniques used to study MLCT transitions. The rationale behind ZHR-SS is summarized, as areother schemes currently available for the evaluation of solvent effects onelectronic spectra. Initial test calculations are described in which ZHR-SS is used to predict solvent effects on (n, pi*) transitions of azines: thephysical processes involved closely resemble those involved in MLCT spectra, but a much larger range of experimental data is available to test the method. Results for MLCT and related processes in Fe2+(H2O)(6), Ru2+(NH3)(5)-pyridine, Ru2+ C (NH3)(5)-pyrazine, and Ru2+(NH3)(5)-pyrazine-H+ are described which accommodate the (initially surprising) results of electroabsorption experiments within the general physical picture of MLCT processes. (C) 1998 Elsevier Science S.A. All rights reserved.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 02/12/20 alle ore 13:40:43