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AB initio calculations on the hydration energies of Br− Ion

✍ Scribed by Shigeru Ikuta

Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
371 KB
Volume
68
Category
Article
ISSN
0009-2614

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✦ Synopsis

The energies of the hydrated I3r-ion for coordination numbers up to 4 hate been calculated with an ab initio hf0 method. The most favorable orientation is the ion-dipole one. in contrast to the H-bonded orientation for C17HaO) and F7HzO).

The hydration energies cafcufa~ed in this study are in fair agreement with those obtained by hrshadi et al

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