Vibrational Spectroscopic Study of N-[4-[1-Hydroxy-2-[(1-Methyl Ethyl)Amino]Ethyl]Phenyl]Methane Sulfonamide  

作　　者：N.Balamurugan S.Sampathkrishnan C.Charanya 

机构地区：[1]Department of Physics,Sri Lakshmi Ammaal Engineering College [2]Department of Physics,Sri Venkateswara College of Engineering [3]Research Scholar,Department of Physics,Sri Venkateshwara College of Engineering

出　　处：《光谱学与光谱分析》2016年第3期880-886,共7页Spectroscopy and Spectral Analysis

摘　　要：The vibrational spectral analysis was carried out by using FT-Raman and FT-IR spectroscopy in the range 4 000~400and 4 000~400cm-1 respectively,for N-[4-[1-hydroxy-2-[(1-methyl ethyl)amino]ethyl]phenyl]methane sulfonamide(HPAEPMS)molecule.Theoretical calculations were performed by ab initio Density Functional Theory(DFT)method using 6-31G(d,p)basis set.The complete vibrational assignments of wavenumbers were made on the basis of potential energy distribution(PED).The results of the calculations were applied to simulated spectra of the title compound,which show excellent agreement.The vibrational spectral analysis was carried out by using FT-Raman and FT-IR spectroscopy in the range 4 000~400and 4 000~400cm-1 respectively,for N-[4-[1-hydroxy-2-[（1-methyl ethyl）amino]ethyl]phenyl]methane sulfonamide（HPAEPMS）molecule.Theoretical calculations were performed by ab initio Density Functional Theory（DFT）method using 6-31G（d,p）basis set.The complete vibrational assignments of wavenumbers were made on the basis of potential energy distribution（PED）.The results of the calculations were applied to simulated spectra of the title compound,which show excellent agreement.

关 键 词：FT-IR FT-RAMAN DFT Vibrational analysis 

分 类 号：O657.3[理学—分析化学]