caa a22 4500 445328843 CHVBK 20180317142730.0 cr unu---uuuuu 170323e20111101xx s 000 0 eng 10.1007/s10953-011-9759-2 doi (NATIONALLICENCE)springer-10.1007/s10953-011-9759-2 An Ab Initio Investigation of Zinc Bromo Complexes [Elektronische Daten] [Cory Pye, Sandra Black, Wolfram Rudolph] 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. Springer Science+Business Media, LLC, 2011 Zinc nationallicence Aqua complexes nationallicence Bromo complexes nationallicence Ab initio nationallicence Raman spectra nationallicence Pye Cory Department of Chemistry, Saint Mary's University, B3H 3C3, Halifax, Nova Scotia, Canada aut Black Sandra Department of Chemistry, Saint Mary's University, B3H 3C3, Halifax, Nova Scotia, Canada aut Rudolph Wolfram Medizinische Fakultaet der TU Dresden, Institut fuer Virologie im MTZ, Fiedlerstrasse 42, 01307, Dresden, Germany aut Journal of Solution Chemistry Springer US; http://www.springer-ny.com 40/11(2011-11-01), 1932-1954 0095-9782 40:11<1932 2011 40 10953 https://doi.org/10.1007/s10953-011-9759-2 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10953-011-9759-2 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Pye Cory Department of Chemistry, Saint Mary's University, B3H 3C3, Halifax, Nova Scotia, Canada aut NATIONALLICENCE 700 1- Black Sandra Department of Chemistry, Saint Mary's University, B3H 3C3, Halifax, Nova Scotia, Canada aut NATIONALLICENCE 700 1- Rudolph Wolfram Medizinische Fakultaet der TU Dresden, Institut fuer Virologie im MTZ, Fiedlerstrasse 42, 01307, Dresden, Germany aut NATIONALLICENCE 773 0- Journal of Solution Chemistry Springer US; http://www.springer-ny.com 40/11(2011-11-01), 1932-1954 0095-9782 40:11<1932 2011 40 10953 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer