Electronic and Molecular Structure of Room-Temperature Stable Triplet Carbene as Studied by ESR Spectroscopy

Katsuhiko Furukawa Advanced Science and Technology Center for Cooperative Research, Kyushu University, 6-1 Kasugakoen, Kasuga, Fukuoka, 816, Japan

Takeji Takui Department of Chemistry, Faculty of Science, Osaka City University, 3-3-138 Sugimoto, Sumiyoshi-ku, Osaka, 558, Japan

Koichi Itoh Department of Material Science, Faculty of Science, Osaka City University, 3-3-138 Sugimoto, Sumiyoshi-ku, Osaka, 558, Japan

Tetsuya Watanabe Chemistry Department for Materials, Faculty of Engineering, Mie University, Uehama, Tsu, Mie, 514, Japan

Katsuyuki Hirai Chemistry Department for Materials, Faculty of Engineering, Mie University, Uehama, Tsu, Mie, 514, Japan

Hideo Tomioka Chemistry Department for Materials, Faculty of Engineering, Mie University, Uehama, Tsu, Mie, 514, Japan

Abstract

A ground-state triplet diphenylcarbene derivative, 2,2′,4,4′,6,6′-hexabromodiphenylcarbene 1 was synthesized and generated to be a model for chemically stable organic high-spin molecules. Electron Spin Resonance spectroscopy showed that 1 was a triplet molecule in the ground state and survived up to room temperature in the crystal state. 1 is the first stable triplet carbene in fluid solution at low temperature and in the crystal state at room temperature.

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Electronic and Molecular Structure of Room-Temperature Stable Triplet Carbene as Studied by ESR Spectroscopy

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Electronic and Molecular Structure of Room-Temperature Stable Triplet Carbene as Studied by ESR Spectroscopy

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