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

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/16203

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Title: A METHOD FOR CALCULATING VIBRONIC MAGNETIC ROTATIONAL STRENGTHS AND OSCILLATOR STRENGTHS: FORMALDEHYDE
Creators: Linder, R. E.; Bunnenberg, Edward; Djerassi, Carl; Seamans, Lloyd; Moscowitz, Albert
Issue Date: 1973
Abstract: 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.
URI: http://hdl.handle.net/1811/16203
Other Identifiers: 1973-Y-11
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