Theoretical analysis of femtosecond excitation and fragmentation dynamics of Fe(CO)5

被引:20
作者
Rubner, O
Baumert, T
Bergt, M
Kiefer, B
Gerber, G
Engel, V
机构
[1] Univ Wurzburg, Inst Phys Chem, D-97074 Wurzburg, Germany
[2] Univ Kassel, Fachbereich Phys, D-34121 Kassel, Germany
[3] Univ Wurzburg, Inst Phys, D-97074 Wurzburg, Germany
关键词
D O I
10.1016/S0009-2614(99)01352-4
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 present the application of a time-dependent model to Fe(CO)(5) dissociation after femtosecond excitation to understand transient signals obtained in recent pump/probe experiments. The calculation of time-dependent energy distributions allows us to interpret the decay behaviour of the various fragments. The results indicate that at least two dissociation pathways have to be considered to explain the transient signals obtained for the different fragments. Furthermore, it is shown that, within each of the pathways discussed, concerted and sequential fragmentation compete. (C) 2000 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:585 / 592
页数:8
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