Zinc ascorbate: a combined experimental and computational study for structure elucidation

Unaleroglu C., Zumreoglu-Karan B., Mert Y.

JOURNAL OF MOLECULAR STRUCTURE, vol.605, pp.227-233, 2002 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 605
  • Publication Date: 2002
  • Doi Number: 10.1016/s0022-2860(01)00765-7
  • Journal Name: JOURNAL OF MOLECULAR STRUCTURE
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.227-233
  • Keywords: vitamin C, L-ascorbic acids, zinc, metal ascorbates, computational studies, INDEPENDENT DECOMPOSITION REACTIONS, AQUEOUS METAL SOLUTIONS, VITAMIN-C, COORDINATION CHEMISTRY, ACID, COMPLEXES, IONS, CHROMIUM(VI), OXIDATION, SYSTEM
  • Hacettepe University Affiliated: Yes

Abstract

The structure of Zn(HA)(2.4)H2O (HA = ascorbate) has been examined by a number of techniques (C-13 NMR, H-1 NMR, IR, EI/MS and TGA) and also modeled by the semi-empirical PM3 method. The experimental and computational results agreed on a five-fold coordination around Zn(II) where one ascorbate binds monodentately, the other bidentately and two water molecules occupy the remaining sites of a distorted square pyramid. (C) 2002 Elsevier Science B.V. All rights reserved.