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Theoretica chimica acta

, Volume 35, Issue 1, pp 69–80 | Cite as

C-H Group as proton donor by formation of a weak hydrogen bond

  • D. Bonchev
  • P. Cremaschi
Commentationes

Abstract

A systematic CNDO/2 study has been carried out on the weak C-H...F, C-H...O, and C-H...N hydrogen bonds. An H-bond formation has been revealed for proton donors with negative excess charge on the hydrogen. The concept of the positive character of the hydrogen as well as some essential features of the hydrogen bond have been discussed. Some useful correlations have been found and the importance of the charge shifts has been emphasized.

Key words

H-bond formation CH-group as proton donor 

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Copyright information

© Springer-Verlag 1974

Authors and Affiliations

  • D. Bonchev
    • 1
    • 2
  • P. Cremaschi
    • 1
  1. 1.Institute of Physical ChemistryUniversity of MilanItaly
  2. 2.Dept. Phys. ChemistryHigher School of Chemical TechnologyBurgasBulgaria

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