Metal effects on electronic structures of directly linked tribenzotetraazachlorin-fullerene conjugates

Takamitsu Fukuda, Satoshi Masuda, Naoaki Hashimoto, Nagao Kobayashi

Research output: Contribution to journalArticle

18 Citations (Scopus)

Abstract

Mixed condensation of 1,2-dicyanofullerene (1) and 4,5- dibutyloxyphthalonitrile (2a) in the presence of vanadium(III) chloride (VCl3) in quinoline forms the hexabutyloxy-substituted tribenzotetraazachlorin (TBTAC) - fullerene (C60) vanadyl complex (3). UV-vis absorption and magnetic circular dichroism (MCD) spectroscopy demonstrated that 3 shows two intense Q-band components, whereas the previously reported nickel complex possessing the identical peripheral substituents (4) shows one intense and two medium-intense bands in the 600-800 nm region, indicating that the electronic mixing states of 3 are different from those of the nickel complex (4). The metal effects on electronic structures of the conjugates were interpreted using density functional theory (DFT) calculations.

Original languageEnglish
Pages (from-to)2576-2580
Number of pages5
JournalInorganic chemistry
Volume47
Issue number7
DOIs
Publication statusPublished - 2008 Apr 7

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

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