Vibrational spectra and normal coordinate analysis on structure of chlorambucil and thioguanine

Pramana

R Arun Balaji¹  S Kumaresan2³  S Gunasekaran¹  S Seshadri²  G Anand³ 

[1] Spectrophysics Research Laboratory, Pachaiyappa’s College, Chennai 600 030, India$$;Faculty of Physics, SCSCMV University, Enathur, Kanchipuram 631 561, India$$;Faculty of Physics, Arulmigu Meenakshi Amman College of Engineering, Vadamavandal 604 410, India$$

关键词: Fourier transform infra-red spectrum;    Fourier transform Raman spectrum;    normal coordinate analysis;    potential energy distribution;    thioguanine;    chlorambucil.;   

DOI  :  

学科分类：物理（综合）

来源: Indian Academy of Sciences

【 摘 要 】

A normal coordinate analysis on chlorambucil and thioguanine has been carried out with a set of symmetry coordinates following Wilson's 𝐹 – 𝐺 matrix method. The potential constants evaluated for these molecules are found to be in good agreement with literature values thereby confirming the vibrational assignments. To check whether the chosen set of vibrational frequencies contribute maximum to the potential energy associated with the normal coordinates of the molecule, the potential energy distribution has been evaluated.

【 授权许可】

Unknown