Journal
JOURNAL OF SOLUTION CHEMISTRY
Volume 40, Issue 11, Pages 1932-1954Publisher
SPRINGER/PLENUM PUBLISHERS
DOI: 10.1007/s10953-011-9759-2
Keywords
Zinc; Aqua complexes; Bromo complexes; Ab initio; Raman spectra
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Funding
- Natural Sciences and Engineering Research Council of Canada
- Department of Economic Development (Government of Nova Scotia)
- Student Employment Experience Program (SEEP-SMU)
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A series of geometry, frequency, and energy calculations of bromoaquazinc(II) complexes were carried out at up to the MP2/6-31+G* level. A thorough examination of all species up to and including hexacoordinate species, and with up to four bromides, was carried out. The structures of the complexes are compared with experimental data where available. The solution chemistry of zinc(II) in the presence of bromide is discussed.
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