Dipole oscillator strength distributions and properties for methanol, ethanol, and n-propanol
Author(s) -
B. L. Jhanwar,
William J. Meath
Publication year - 1984
Publication title -
canadian journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.323
H-Index - 68
eISSN - 1480-3291
pISSN - 0008-4042
DOI - 10.1139/v84-066
Subject(s) - oscillator strength , chemistry , dipole , methanol , ground state , atomic physics , computational chemistry , analytical chemistry (journal) , quantum mechanics , physics , organic chemistry , spectral line
Dipole oscillator strength distributions (DOSDs) have been constructed for ground state methanol, ethanol, and n-propanol and used to evaluate integrated ("band") oscillator strengths and the dipole oscillator strength sums S k and L k (for a variety of k values) for these molecules. Each DOSD is constructed by using available experimental and theoretical photoabsorption cross sections and by constraining the resulting dipole oscillator strength data to satisfy the Thomas–Reiche–Kuhn sum rule and molar refractivity constraints. The discussion includes an analysis of the reliability of the results.
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