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Theoretical study of the vibronic structure of the 11Π ←X1Σ+electronic transition in HCN and DCN

 

作者: M. Perić,   R.J. Buenker,   S.D. Peyerimhoff,  

 

期刊: Molecular Physics  （Taylor Available online 1987）
卷期: Volume 62, issue 6  

页码: 1323-1338

 

ISSN:0026-8976

 

年代: 1987

 

DOI:10.1080/00268978700103001

 

出版商: Taylor & Francis Group

 

数据来源: Taylor

 

摘要:

The vibronic structure of the 11Π ←XΣ+electronic transition in HCN and DCN is studied by means ofab initiomethods. The positions and intensities of corresponding spectral bands are predicted and the results of these calculations lead to a new interpretation of experimental findings concerning theC←XandD←Xspectra of HCN and DCN.

 

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