Abstract
CNDO/2 calculations show that hydrogen bonds in the electronically excited states of
+H2O and
+HOCH3 systems are slightly weaker than in the ground states. The n→π* transition energies as well as solvent blue-shifts are predicted fairly satisfactorily.
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Rao, C.N.R., Murthy, A.S.N. Hydrogen bonding in electronically excited states of molecules. Theoret. Chim. Acta 22, 392–395 (1971). https://doi.org/10.1007/BF01036043
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DOI: https://doi.org/10.1007/BF01036043