Electronic structures and dynamics of the excited triplet states of α,ω-diphenylpolyynes

Yasutomo Nagano; Tadaaki Ikoma; Kimio Akiyama; Shozo Tero-Kubota

doi:10.1063/1.1331614

Electronic structures and dynamics of the excited triplet states of α,ω-diphenylpolyynes

Yasutomo Nagano, Tadaaki Ikoma, Kimio Akiyama, Shozo Tero-Kubota

Division of Organic- and Biomaterials Research

Research output: Contribution to journal › Article › peer-review

28 Citations (Scopus)

Abstract

The molecular axes of x, y and z for the DPA and DPY molecules are defined as the out-of-plane axis, the short axis and the long axis within the molecular plane. It is experimentally determined that DPA and 1,4-diphenylbutadiyne (DPB) hold a linear planar structure belonging to the D_2h point group in the ground (So) state. It is also reported that the triplet lifetimes for DPA, DPB, DPH and 1.8-DPO measured at 77K.

Original language	English
Pages (from-to)	1775-1784
Number of pages	10
Journal	Journal of Chemical Physics
Volume	114
Issue number	4
DOIs	https://doi.org/10.1063/1.1331614
Publication status	Published - 2001 Jan 1

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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AU - Ikoma, Tadaaki

AU - Akiyama, Kimio

AU - Tero-Kubota, Shozo

PY - 2001/1/1

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AB - The molecular axes of x, y and z for the DPA and DPY molecules are defined as the out-of-plane axis, the short axis and the long axis within the molecular plane. It is experimentally determined that DPA and 1,4-diphenylbutadiyne (DPB) hold a linear planar structure belonging to the D2h point group in the ground (So) state. It is also reported that the triplet lifetimes for DPA, DPB, DPH and 1.8-DPO measured at 77K.

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