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A METHOD FOR CALCULATING VIBRONIC MAGNETIC ROTATIONAL STRENGTHS AND OSCILLATOR STRENGTHS: FORMALDEHYDE

Robert E. Linder,E. Bunnenberg,Carl Djerassi,Lloyd Seamans,Albert Moscowitz-1973-01-01-The Knowledge Bank (The Ohio State University)
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TL;DRAbstract

A method for calculating the magnetic rotational strength (-B(A$\\rightarrow$ J)) and the dipole strength (D(A $\\rightarrow$ J)) for electronically forbidden, vibronically allowed electronic transitions is presented. As an example, these parameters are calculated in a semiempirical framework (CNDO/2 SCF wave functions, valence shell Cl, and one center contributions to the electric and magnetic moments) and are compared with experiment for the $n\\rightarrow \\Pi^{*}$ transition (353 nm absorption system, $^{1}A_{2}$ state) of formaldehyde.

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A method for calculating the magnetic rotational strength (-B(A$\\rightarrow$ J)) and the dipole strength (D(A $\\rightarrow$ J)) for electronically forbidden, vibronically allowed electronic transitions is presented. As an example, these parameters are calculated in a semiempirical framework (CNDO/2 SCF wave functions, valence shell Cl, and one center contributions to the electric and magnetic moments) and are compared with experiment for the $n\\rightarrow \\Pi^{*}$ transition (353 nm absorption system, $^{1}A_{2}$ state) of formaldehyde.

Keywords

FormaldehydeVibronic spectroscopyPhysicsAtomic physicsMaterials scienceNuclear magnetic resonancePhotochemistryChemistry

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