کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5390618 | 1505171 | 2006 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Conical intersection in a bilirubin model - A possible pathway for phototherapy of neonatal jaundice
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
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چکیده انگلیسی
Phototherapy of neonatal jaundice involves Z-E-isomerisation around an exocyclic double bond in bilirubin. Our results of a CASSCF study on dipyrrinone, a bilirubin model, show a conical intersection between the ground and first excited singlet states associated with the Z-E-isomerisation. The conical intersection, located ca. 50Â kJ/mol below the Franck-Condon-point, together with the S1 minimum, ca. 50Â kJ/mol below the conical intersection, are able to explain the available time-resolved spectroscopic data (the very short lifetime of the initially excited state and transient 'dark state' intermediate) as well as bilirubin's very low fluorescence quantum yield and the medium-efficient photoisomerisation reaction.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics Letters - Volume 420, Issues 4â6, 21 March 2006, Pages 556-561
Journal: Chemical Physics Letters - Volume 420, Issues 4â6, 21 March 2006, Pages 556-561
نویسندگان
Burkhard Zietz, Fredrik Blomgren,