Molecular Rydberg Transitions in Carboxylic Acids by RINDO/S-CI Method
Corresponding Author(s) : R.P. Sinha
Asian Journal of Chemistry,
Vol. 4 No. 4 (1992): Vol 4 Issue 4
Abstract
Rydberg transitions in some carboxylic acids like acetic acid, propanoic acid and butanoic acid have been calculated using semi-empirical SCF-LCAO-MO-RINDO/S-CI method. The computed transition energies, oscillator strengths and percentage Rydberg character for singlet singlet (S → S) and singlet-triplet (S → T) transitions alogwith S → T splittings are in good agreement with the experimental values.
Keywords
Molecular Rydberg
Transition
Carboxylic Acid
RINDO/S-CI Method
Sinha, R., & Singh, A. (2010). Molecular Rydberg Transitions in Carboxylic Acids by RINDO/S-CI Method . Asian Journal of Chemistry, 4(4), 838–843. Retrieved from https://asianpubs.org/index.php/ajchem/article/view/25160
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