韶关学院学报
韶關學院學報
소관학원학보
Journal of Shaoguan University(Social Science Edition)
2011年
2期
31~34
,共null页
张文英 许小松 徐艳婷 许蕾
張文英 許小鬆 徐豔婷 許蕾
장문영 허소송 서염정 허뢰
胸腺嘧啶-胞嘧啶二聚体 光解离 无辐射失活 半经典动力学模拟
胸腺嘧啶-胞嘧啶二聚體 光解離 無輻射失活 半經典動力學模擬
흉선밀정-포밀정이취체 광해리 무복사실활 반경전동역학모의
thymine-cytosine dimer; dissociation; non-radiactive deactivation; semiclassical dynamic simulation
采用半经典动力学方法模拟了紫外辐射诱导下胸腺嘧啶-胞嘧啶二聚体（T〈〉C）光解离反应过程.采用FWHM=25 fs的激光激发游离的（T〈〉C）,模拟发现解离是非协同过程,C5-C5′键先断裂,C6-C6′键随后断裂.解离后生成一个胸腺嘧啶单体和一个胞嘧啶单体,这两个分子在断键的同时衰减至基态.
採用半經典動力學方法模擬瞭紫外輻射誘導下胸腺嘧啶-胞嘧啶二聚體（T〈〉C）光解離反應過程.採用FWHM=25 fs的激光激髮遊離的（T〈〉C）,模擬髮現解離是非協同過程,C5-C5′鍵先斷裂,C6-C6′鍵隨後斷裂.解離後生成一箇胸腺嘧啶單體和一箇胞嘧啶單體,這兩箇分子在斷鍵的同時衰減至基態.
채용반경전동역학방법모의료자외복사유도하흉선밀정-포밀정이취체（T〈〉C）광해리반응과정.채용FWHM=25 fs적격광격발유리적（T〈〉C）,모의발현해리시비협동과정,C5-C5′건선단렬,C6-C6′건수후단렬.해리후생성일개흉선밀정단체화일개포밀정단체,저량개분자재단건적동시쇠감지기태.
Photoinduced dissociation of the thymine-cytosine dimer（TC）is studied in a semiclassical dyna-mics simulation.The simulation follows excitation of an isolated（TC）by a 25 fs FWHM laser pulse,and finds that dissociation proceeds via an asynchronously concerted mechanism,in which the C6-C6′ bond breaks soon after application of the laser pulse,followed by cleavage of the C5-C5′ bond.The dissociation results in a thymine and cytosine monomers.The two monomers decay to the electronic ground state at the bond-breaken time.
