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Structures and energetics of Zn(NH3)2+n (n=4–6). Coordination number of Zn2+ by ammine

✍ Scribed by Kwang S. Kim; Sik Lee; Byung Jin Mhin; Seung Joo Cho; Jongseob Kim

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
339 KB
Volume
216
Category
Article
ISSN
0009-2614

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✦ Synopsis

From ab initio studies of Zn (NH,):+ complexes ( n = 4-6)) their various minimum energy structures have been identified for the first time. The hexa-ammine-Zn(I1) complexes with the coordination numbers (NE) of 4 to 6 have almost the same enthalpies. But, owing to the entropy effect the complex with N,=4 has the lowest free energy. Nevertheless, the structural stabilities of these complexes are not so different; thus, the N, may vary between 4 and 6 according to given molecular environments, though N, = 4 is the most favored. This is in accord with the statistical analysis of the X-ray data of the Zn (II) complexes coordinated by nitrogen-containing ligands.

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