Electronic structures and spectroscopy of the electron transfer series [Fe(NO)L2]z (z = 1+, 0, 1–, 2–, 3–; L = dithiolene)

Surawatanawong, P., Sproules, S. , Neese, F. and Wieghardt, K. (2011) Electronic structures and spectroscopy of the electron transfer series [Fe(NO)L2]z (z = 1+, 0, 1–, 2–, 3–; L = dithiolene). Inorganic Chemistry, 50(23), pp. 12064-12074. (doi:10.1021/ic201565d)

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Abstract

The electronic structures and spectroscopic parameters for the electron transfer series [Fe(NO)(L)2]z (z = 1+, 0, 1−, and 2−; L = S2C2R2; R = p-tolyl, CN) were calculated using density functional theory and compared to experimental data. The tri-, di-, and monoanions are {FeNO}8,7,6 species, respectively. The neutral and monocationic members are {FeNO}6 ↔ {FeNO}7 complexes whose electronic structures are modulated by the dithiolene ligand substituents.

Item Type:Articles
Status:Published
Refereed:Yes
Glasgow Author(s) Enlighten ID:Sproules, Dr Stephen
Authors: Surawatanawong, P., Sproules, S., Neese, F., and Wieghardt, K.
College/School:College of Science and Engineering > School of Chemistry
Journal Name:Inorganic Chemistry
Publisher:American Chemical Society
ISSN:0020-1669
ISSN (Online):1520-510X

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