Geometric features and electronic structures of six-coordinated dialkyl and dithiolate complexes of osmium(IV) porphyrins

Citation
Sy. Yang et al., Geometric features and electronic structures of six-coordinated dialkyl and dithiolate complexes of osmium(IV) porphyrins, ORGANOMETAL, 20(14), 2001, pp. 3198-3201
Citations number
43
Language
INGLESE
art.tipo
Article
Categorie Soggetti
Organic Chemistry/Polymer Science
Journal title
ORGANOMETALLICS
ISSN journal
0276-7333 → ACNP
Volume
20
Issue
14
Year of publication
2001
Pages
3198 - 3201
Database
ISI
SICI code
0276-7333(20010709)20:14<3198:GFAESO>2.0.ZU;2-#
Abstract
The majority of sir-coordinate d(4) osmium/ruthenium(IV) porphyrin complexe s [M(por)X-2] have been found to be paramagnetic and have linear X-M-X stru ctural units. However, an exception is found for [Os-(por)R-2] and [Os(por) (SR)(2)] (R = alkyl), which are diamagnetic. While the S-Os-S unit in [Os(p or)(SR)(2)] is linear, the R-Os-R unit in [Os(por)R-2] is found to be signi ficantly bent. In this note, the geometric features and electronic structur es of the dialkyl and dithiolate complexes of osmium(IV) porphyrins have be en investigated by density functional calculations.