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A theoretical study of NO− complexes with neutral water solvent molecules

✍ Scribed by S. Roszak

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
372 KB
Volume
221
Category
Article
ISSN
0009-2614

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✦ Synopsis

A theoretical study of the nitric oxide anion solvated by one and two molecules of water is presented. Calculated values of vertical detachment energies, adiabatic electron affinities and anion-single solvent dissociation energies agree well with experimental data. The study indicates that the excess negative charge is localized on the nitric oxide portion of the cluster and that this sub-ion is solvated by neutral water molecules. The determined structures of the NO-( H20) and NO-(H20)2 complexes are presented.

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