a deperturbation method to aid in the 临interpretation of ：一种能够帮助解释deperturbation方法.pptVIP

A Deperturbation Method to Aid in the Interpretation of Infrared Isotopic Spectra G. Garcia and C. M. L. Rittby Texas Christian University Fort Worth, TX 76129 June 20, 2007 Introduction Identification of new molecular species based on the comparison between observed and predicted vibrational fundamentals and isotopic shifts. Linear carbon chains represent one group of molecules under study. Carbon Chains Long carbon chains have a larger number of stretching modes with near-lying fundamental frequencies. Deperturbation Model Two-level system Energies described to 2nd order in perturbation