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

Takamitsu Fukuda; Satoshi Masuda; Naoaki Hashimoto; Nagao Kobayashi

doi:10.1021/ic701840r

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

Takamitsu Fukuda, Satoshi Masuda, Naoaki Hashimoto, Nagao Kobayashi

SCI - Chemistry

Research output: Contribution to journal › Article

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 language	English
Pages (from-to)	2576-2580
Number of pages	5
Journal	Inorganic chemistry
Volume	47
Issue number	7
DOIs	https://doi.org/10.1021/ic701840r
Publication status	Published - 2008 Apr 7

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry

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10.1021/ic701840r

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Fukuda, T., Masuda, S., Hashimoto, N., & Kobayashi, N. (2008). Metal effects on electronic structures of directly linked tribenzotetraazachlorin-fullerene conjugates. Inorganic chemistry, 47(7), 2576-2580. https://doi.org/10.1021/ic701840r

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title = "Metal effects on electronic structures of directly linked tribenzotetraazachlorin-fullerene conjugates",

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.",

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AU - Fukuda, Takamitsu

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AU - Hashimoto, Naoaki

AU - Kobayashi, Nagao

PY - 2008/4/7

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N2 - 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.

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