Quantum-chemical (DFT, MP2) and spectroscopic studies (FT-IR and UV) of monomeric and dimeric structures of 2(3H)-Benzothiazolone.

Sinha, L

Quantum-chemical (DFT, MP2) and spectroscopic studies (FT-IR and UV) of monomeric and dimeric structures of 2(3H)-Benzothiazolone. [electronic resource] - Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 2014 - 126-36 p. digital

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

1873-3557

10.1016/j.saa.2013.09.125 doi


Benzothiazoles--chemistry
Dimerization
Models, Molecular
Quantum Theory
Spectrophotometry, Ultraviolet
Spectroscopy, Fourier Transform Infrared