کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5392836 1505541 2016 18 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Twist effects on the electronic and photophysical characters of biphenyl and 4,4′-bis(phenylsulfonyl) biphenyl
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Twist effects on the electronic and photophysical characters of biphenyl and 4,4′-bis(phenylsulfonyl) biphenyl
چکیده انگلیسی
Sulfonyl groups act as effective breaking points of π-conjugation in 4,4′-bis(phenylsulfonyl) biphenyl. Thereby, a linear relationship between the frontier MOs (HOMOs and LUMOs) energies and twisted angles of the biphenyl core was observed. Moreover, both HOMO and LUMO are stabilized and the triplet transition energy will be increased by the rotation of the central C-C bond in biphenyl core of 4,4′-bis(phenylsulfonyl) biphenyl.117
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational and Theoretical Chemistry - Volume 1085, 1 June 2016, Pages 1-6
نویسندگان
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