Title of article :
Vibrational spectrum and ab initio calculations of m-xylene
Author/Authors :
Zhang، نويسنده , , Song and Tang، نويسنده , , Bifeng and Wang، نويسنده , , Yanmei and Zhang، نويسنده , , Bing، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2004
Pages :
5
From page :
495
To page :
499
Abstract :
We present an assigned spectrum of the first electronic transition of m-xylene observed by resonance-enhanced multiphoton ionization in a time-of-flight mass spectrometer. The band origin of the S1 ← S0 electronic transition is found to be 36 951 cm−1. These vibrationally resolved spectral features have been successfully assigned on the basis of comparison with the results from ab initio and density functional theory calculations. These suggest that the substituents on benzene ring can influence the electronic transition and molecular vibrational modes of m-xylene. The spectrum shows a rich structure and some vibrational frequencies of S1 state are determined.
Journal title :
Chemical Physics Letters
Serial Year :
2004
Journal title :
Chemical Physics Letters
Record number :
1913006
Link To Document :
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