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Spin-orbit coupling in aromatic molecules

 

作者: W.S. Veeman,   J.H. van der Waals,  

 

期刊: Molecular Physics  (Taylor Available online 1970)
卷期: Volume 18, issue 1  

页码: 63-75

 

ISSN:0026-8976

 

年代: 1970

 

DOI:10.1080/00268977000100061

 

出版商: Taylor & Francis Group

 

数据来源: Taylor

 

摘要:

A calculation is presented of the radiative lifetimes of theππ′phosphorescent state of quinoxaline and a number of aromatic hydrocarbons. For the matrix elements of the spin-orbit hamiltonian an ‘atoms in molecules’ approach is used and only the one-electron one-centre terms in the expansion of these matrix elements in integrals over AO's are retained. This approach is similar to that used by Goodman and Krishna for thenπ′states of some aza-aromatics. For quinoxaline a lifetimeτ=0·33 s is obtained.

 

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