Structural, optical, and photophysical properties of nickel(II) alkylthioporphyrins: insights from experimental and DFT/TDDFT studies

A. Rosa, G. Ricciardi, E.J. Baerends, M. Zimin, M.A. Rodgers, S. Matsumoto, N. Ono

Research output: Contribution to JournalArticleAcademicpeer-review

Abstract

The ground- and excited-state properties of a Ni(II) porphyrin bearing peripheral alkylthio group, NiOMTP (OMTP = 2,3,7,8,12,13,17,18-octakis methylthio porphyrinate) have been investigated by steady-state and time-resolved absorption spectrometry and DFT/TDDFT theoretical methods. Several conformations corresponding to different deformations of the porphyrin core and to different orientations of the alkylthio groups have been theoretically explored. The nearly degenerate, purely ruffled D
Original languageEnglish
Pages (from-to)6609-22
JournalInorganic Chemistry
Volume44
Issue number19
DOIs
Publication statusPublished - 2005

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