adeperturbationmethodtoaidintheinterpretationof一种能够帮助解释deperturbation方法.pptxVIP

1 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. 第1页/共26页 2 Isotopic Substitution Experimentally, a 13C atom is systematically substituted in place of a 12C atom in a molecule. 第2页/共26页 3 Illustration of the comparison between observed and predicted isotopic spectra of the ν3(σu) mode of linear C5 R. Cárdenas experimental spectrum 第3页/共26页 4 90% 12C / 10% 13C Frequency (cm-1) C10,v6 ? Absorbance ? 2045 2055 2065 2