Chem. J. Chinese Universities ›› 2005, Vol. 26 ›› Issue (10): 1921.

• Articles • Previous Articles     Next Articles

Resonance Raman Intensity Analysis of Charge-transfer Vibrational Reorganization Energies of I2-1-Hexene Complex

ZHU Hong-Feng, ZHENG Xu-Ming   

  1. Key Labotory of Advanced Textile Materials of Ministry of Educations,Department of Applied Chemistry,Zhejian University of Sciences,Hangzhou 310018,China
  • Received:2004-08-31 Online:2005-10-10 Published:2005-10-10

Abstract: The absorption cross section and absolute resonance Raman cross section at three excitations within ca. 270 nm absorption band of the complex were obtained.Excitation near the maximum of the charge-transfer absorption results in a significant resonance enhancement of fundamentals νI-I and νCC,and their overtones and combination bands.The reorganization energy in each vibrational mode and homogeneous broadening contribution to the electronic linewidth are determined through quantitative modeling of the absorption and resonance Raman spectra by time-dependent wave-packet theory and using simple model.Total vibrational reorganization energy is measured to be 3 700 cm-1,which is distributed to four Franck-Condon vibrational modes.The largest contribution is from I-I stretching vibrational mode with reorganization energy 2 490 cm-1.The second is from CC stretching vibrational mode with reorganization energy 1 170 cm-1.These two vibrational modes possess 98% of the total reorganization energy.The remaining 2% reorganization energy is partitioned into alkyl CH3 and CH2 twist vibration modes of 1-hexene moiety.

Key words: Vibrational reorganization energy, Resonance Raman spectroscopy, Time-dependent wave-packet theory, Charge-transfer complex

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