Femtosecond Intersystem Crossing in the DNA Nucleobase Cytosine
نویسندگان
چکیده
منابع مشابه
Intersystem Crossing Pathways in the Noncanonical Nucleobase 2-Thiouracil: A Time-Dependent Picture
The deactivation mechanism after ultraviolet irradiation of 2-thiouracil has been investigated using nonadiabatic dynamics simulations at the MS-CASPT2 level of theory. It is found that after excitation the S2 quickly relaxes to S1, and from there intersystem crossing takes place to both T2 and T1 with a time constant of 400 fs and a triplet yield above 80%, in very good agreement with recent f...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry Letters
سال: 2012
ISSN: 1948-7185
DOI: 10.1021/jz301312h