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Molecular force fields. Part VI.?distortions of bond-forming orbitals and the effect on molecular vibrations

โœ Scribed by Linnett, J. W.; Wheatley, P. J.


Book ID
120022054
Publisher
Royal Society of Chemistry
Year
1949
Weight
384 KB
Volume
45
Category
Article
ISSN
0014-7672

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Ab initio 3CF and SCP Cl caJcuJatjons ~4th Zhe STO-3C basis set have been pcrformcd in this study of the effect of jntramolccubr hydrogen bonding on n orbital cncrgjcs and n -r I?\* transition encrgiw in ,&hydroxyacrofcin. In the hydrogen bonded C, form, the n orbital is stabWed and the n -+ s\* tnn