STRUCTURES AND ENERGETICS OF ZN(NH3)(N)(2+) (N=4-6) - COORDINATION-NUMBER OF ZN2+ BY AMMINE
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- Title
- STRUCTURES AND ENERGETICS OF ZN(NH3)(N)(2+) (N=4-6) - COORDINATION-NUMBER OF ZN2+ BY AMMINE
- Authors
- CHO, SJ; KIM, JS; KIM, KS; LEE, S; MHIN, BJ
- Date Issued
- 1993-12-31
- Publisher
- ELSEVIER SCIENCE BV
- Abstract
- From ab initio studies of Zn(NH3)(n)(2+) complexes (n=4-6), their various minimum energy structures have been identified for the first time. The hexa-ammine-Zn(II) complexes with the coordination numbers (N-c) of 4 to 6 have almost the same enthalpies. But, owing to the entropy effect the complex with N-c=4 has the lowest free energy. Nevertheless, the structural stabilities of these complexes are not so different; thus, the N-c may vary between 4 and 6 according to given molecular environments, though N-c=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.
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/22011
- DOI
- 10.1016/0009-2614(93)90100-F
- ISSN
- 0009-2614
- Article Type
- Article
- Citation
- CHEMICAL PHYSICS LETTERS, vol. 216, no. 3-6, page. 309 - 312, 1993-12-31
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- There are no files associated with this item.
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