UNIVERSITY OF BUCHAREST
FACULTY OF PHYSICS

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Conference: Bucharest University Faculty of Physics 2012 Meeting


Section: Atomic and Molecular Physics; Astrophysics


Title:
Determination of the spatial structure of polyatomic molecules using group theory using Raman spectroscopy


Authors:
F.RABEI


Affiliation:
High School National College “Elena Cuza” Bucharest, Romania


E-mail
rabeif3@gmail.com


Keywords:
Raman spectroscopy, IR


Abstract:
Such as Raman spectroscopy and the IR can help clarify the spatial structure of polyatomic molecules. Examining the Raman spectrum, it does not follow exactly the space group belongs to which molecule, even if it simultaneously examines and the IR spectrum, but in many cases can eliminate the Raman spectrum hypothetical structures can accept one of several possible structure.This work exemplifies how to determine the vibration modes and the number of lines that appear theoretical IR and Raman spectra in the case of molecules. To clarify the spatial structure of a molecule using information obtained from Raman and IR spectra we process as follows: chemical reasons I suggested one or more point-symmetry groups that can describe the molecule. Applying group theory and character tables inspecting spot groups, we determined how many lines can theoretically occur in the Raman and IR spectra for each point group discussed. Comparing the theoretical results obtained with the number of lines that appear in the spectrum obtained experimentally, we chose the point group which describes the correct molecule. It should be noted and that not all theoretical frequencies obtained by Raman spectra are always observable or IR.