1Department of Physics, S. G. S. M. College, Sheikhpura (Bihar)
2Department of Physics, T. N. B. College, Bhagalpur (Bihar)
3Universitry Department of Physics, T. M. B. University, Bhagalpur (Bihar)
Online published on 11 January, 2013.
The electronic spectra and structure of cis-and trans-nitrous acid, nitro methane and nitro ethylene have been studied by RINDO-CI method. First the equilibrium geometries of the molecules have been calculated and these equilibrium geometries are used to predict the other properties. The calculated ground and excited state properties along with SoOT splitting and Rydberg transitions are compared with experimental and theoretical values. The results are in a good agreement with experimental values.
Electronic spectra, Structure of cis-and transnitrous acid, Nitro methane and nitro ethylene, RINDO-CI method
