Theoretical Study on Charge-transfer Excitations of Buckycatcher-Fullerene Complexes

被引：1

作者：

Muraoka, Azusa ^{[1
,2
]}

Yasoshima, Tomomi ^{[1
]}

Hiraiwa, Chiaki ^{[1
]}

机构：

[1] Japan Womens Univ, Dept Math & Phys Sci, Bunkyo Ku, 2-8-1 Mejirodai, Tokyo 1128681, Japan

[2] Japan Sci & Technol Agcy JST, CREST, Tokyo 1128681, Japan

来源：

CHEMISTRY LETTERS | 2018年 / 47卷 / 04期

关键词：

Buckycatcher/fullerene complex; Corannulene; Charge-transfer type excitation; INCLUSION COMPLEXES; CONJUGATED SYSTEMS; CORANNULENE; BUCKYBOWLS; RECEPTORS; HOST; DFT;

D O I：

10.1246/cl.180012

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Buckycatcher molecules (BC), bowl-shaped polycyclic hydrocarbons, have attracted attention as a new type of pi conjugated compound. BC molecules with two corannulene subunits can form a complex (BC/C-60) with C-60 because of the pi-pi interaction between the convex surface of the C-60 and the concave faces of corannulene subunits of the BC. We have performed DFT calculations on the structures and excitation spectra of BC and BC/C-60 and found that charge transfer type excitations from BC to C-60 are possible in BC/C-60.

引用

页码：514 / 517

页数：4

共 23 条

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