✦ LIBER ✦

Theoretical studies on primary hydrated complexes of F− and Cl− ions with large coordination number

✍ Scribed by B.Kh. Bunyatyan; D.A. Zhogolev; F. Ritschl

Publisher: Elsevier Science
Year: 1974
Tongue: English
Weight: 385 KB
Volume: 24
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(74)80169-7

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✦ Synopsis

The dependence of the energy characteristics of coordinated aqua-compleses of F-and Cl-ions on the coordination number and water molecule orientation were studied both by the extended Hilckel method and the CNDO/Z method. The prtiary hydrated shells with n = 8 for F-and Cl-ions were found to be the most advantageous.