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The effects of water on hydrogen bonding in a formamide-ammonia complex

✍ Scribed by Jane S. Murray; Peter Politzer

Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
547 KB
Volume
136
Category
Article
ISSN
0009-2614

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✦ Synopsis

The response of a hydrogen-bonded formamide-ammonia complex to an approaching water molecule has been studied by means of ab initio SCF molecular-orbital calculations. Depending on the site of interaction, the major hydrogen bond in the formamide-ammonia system undergoes modifications ranging from strengthening to complete disruption. In all cases, stable three-membered complexes were formed, usually involving cyclic hydrogen-bonded networks. An analysis of the electrostatic potential of ammonia as a function of HNH angle has been used to help account for the occurrence of a weak hydrogen bond to the ammonia nitrogen on the side opposite the ostensible lone pair. * 'H ', /"9 y ,H9 .I.

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