VIBRATIONAL RAMAN OPTICAL ACTIVITY DUE TO ISOTOPE SUBSTITION
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Date
1981
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Ohio State University
Abstract
It is shown that the vibrational Raman optical activity (VROA) of molecules which owe their chirality to isotope substitution provides basic insight into the mechanisms responsible for the generation of it in general. The VROA spectra of molecules in which individual H atoms have been replaced by 0 atoms prove the chirality of the normal modes to be more important than a chiral distribution of the electrons at equilibrium. These experimental findings are confirmed by a detailed direct calculation of VROA spectra, notably of 1,3-didsuterioallene. Conclusions from experimental data drawn on the size of the relative contributions of the three invariants $aG^{1}$, $\gamma ^{2}_{A}$ and $\gamma ^{2}_{G}$ to the VRDA [1] are likewise supported. A general rule for the VROA of electronically symmetric compounds is presented. [l] W. Hug and H. Surbeck, Chem. Phys, Letters 60, 186 (1979)
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