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A non-empirical study of hydrogen bonding in the dimer of formamide

✍ Scribed by M. Dreyfus; B. Maigret; A. Pullman

Publisher
Springer
Year
1970
Tongue
English
Weight
558 KB
Volume
17
Category
Article
ISSN
1432-2234

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A spIitting of the ND stretching band of partly deuterated formamide has been found in perchlorate and tetrailuoroborab sohxtions. A continuous shift to lower frequencies has been cbserved for halide solutions. These effects are discussed in terms of the solvent separated ion pair model previously p

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## Abstract An approximate __ab‐initio__ valence bond calculation of hydrogen bond energy was carried out and the results are discussed. The total bond energy of a simplified Nο£ΏH…O structure is calculated for various Nο£ΏH and N…O distances and the potential energy profiles are obtained. The hydrogen