Metal-to-Ligand Charge Transfer in the Gas-Phase Cluster Limit

Autor:	Thomas G. Spence, Thomas D. Burns, Brett T. Trotter, Lynmarie A. Posey
Rok vydání:	1998
Předmět:	Chemistry Effective nuclear charge Ion Pyridazine Solvent Metal chemistry.chemical_compound Partial charge visual_art visual_art.visual_art_medium Physical chemistry Molecule Physical and Theoretical Chemistry Acetonitrile
Zdroj:	The Journal of Physical Chemistry A. 102:6101-6106
ISSN:	1520-5215 1089-5639
Popis:	The solvent dependence of metal-to-ligand charge transfer (MLCT) in the bis(2,2‘,2‘‘-terpyridyl)iron(II) complex, [Fe(terpy)2]2+, isolated in small gas-phase clusters with one or four molecules of the polar, organic solvents acetone, acetonitrile, dimethyl sulfoxide, N,N-dimethylformamide, methanol, and pyridazine is reported. The shift in the maximum of the MLCT band, Eop, for [Fe(terpy)2·(solvent)1]2+ clusters, measured using laser photofragmentation mass spectrometry, relative to the corresponding values in bulk solution ranges from +601 cm-1 for acetone to +764 cm-1 for pyridazine. The solvent dependence of the outer-sphere reorganization energy predicted by a dielectric continuum model provides a context for comparing Eop values determined for MLCT in [Fe(terpy)2·(solvent)n]2+ clusters (n = 1, 4) with those measured in solution. A model derived from Kirkwood's equation for the mutual electrostatic interaction energy of an ion and a polar medium predicts that the solvent reorganization energy associat...
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::1a632680ed77b3c992493e3e5f0bcd32 https://doi.org/10.1021/jp982335x Zobrazit plný text záznamu