Characterizing the dark state in thymine and uracil by double resonant spectroscopy and quantum computation

被引：23
作者：
Ligare, M. [1 ]
Siouri, F. [1 ]
Bludsky, O. [2 ]
Nachtigallova, D. [2 ]
de Vries, M. S. [1 ]
机构：
[1] Univ Calif Santa Barbara, Dept Chem & Biochem, Santa Barbara, CA 93117 USA
[2] AS CR, Inst Organ Chem & Biochem Vvi, Prague 16610, Czech Republic
来源：
PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2015年 / 17卷 / 37期
基金：
美国国家科学基金会;
关键词：
RESOLVED PHOTOELECTRON-SPECTROSCOPY; PHOTOINDUCED NONADIABATIC DYNAMICS; THE-IDENTITY APPROXIMATION; EXCITED SINGLET-STATES; LOWEST TRIPLET-STATE; AB-INITIO; PYRIMIDINE-BASES; RNA BASES; CONICAL INTERSECTIONS; RADIATIONLESS DECAY;
D O I：
10.1039/c5cp03516c
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
We report on gas phase double resonant spectroscopy of both the ground state and the dark excited state in isolated uracil and thymine. We also report lifetimes of the dark state for different excitation wavelengths. In combination with ab initio calculations the results suggest that the dark state is of triplet ((3)pi pi*) character.
引用
收藏
页码：24336 / 24341
页数：6
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