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Scientific article
English

Similar coordination - Different dimensionality: synthesis, single crystal structures and theoretical studies of {[Ca(H2O)2L4]I2}n/inf (1: L=CH3COOC2H5, n = 1; 2: L=OC4H8, n = 2)

Contributors

Fromm, Katharina M.; Bernardinelli, Gérald Hugues; Mayor-López, Maria José; Weber, Jacques; Goesmann, Helmut

Published in

Zeitschrift für anorganische und allgemeine Chemie, vol. 626, no. 7, 1685

Publication date

2000

Abstract

CaI2(H2O)2 reacts with O-donor ligands L to yield coordination compounds of the type {[Ca(H2O)2L4]I2}n/, (1: L = CH3COOC2H5, n = 1; 2: L = THF, n = 2). Both compounds feature a coordination number of six around the calcium atom with two water molecules in axial positions and four ligands L in equatorial positions of a tetragonal bipyramid. Due to only a slight variation in the arrangement of the cationic units [Ca(H2O)2L4]2+, hydrogen bonds can be built up between them and the iodide anions in different ways in order to lead to a one-dimensional polymer for 1 and a two-dimensional polymer for 2. Density functional theory calculations provide useful informations on the involved orbitals on the 2-bridging iodide and on the structure of the systems, leading to a small H-I-H angle of 71.2° in 1 compared to a large H-I-H angle of 121.8° in 2.

Keywords

  • Alkaline earth metals
  • Calcium
  • Hydrogen bonding
  • Polymers (inorganic)
  • Density functional calculations
  • Structure elucidation

UNIGE affiliation entities

UNIGE research groups

Citation (ISO format)

FROMM, Katharina M. et al. Similar coordination - Different dimensionality: synthesis, single crystal structures and theoretical studies of {[Ca(H2O)2L4]I2}n/inf (1: L=CH3COOC2H5, n = 1; 2: L=OC4H8, n = 2). In: Zeitschrift für anorganische und allgemeine Chemie, 2000, vol. 626, n° 7, p. 1685. doi: 10.1002/1521-3749(200007)626:7<1685::AID-ZAAC1685>3.0.CO;2-M

Identifiers

Additional URL for this publication

http://www3.interscience.wiley.com/cgi-bin/fulltext?ID=72510807&PLACEBO=IE.pdf

Journal ISSN

0044-2313
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Technical informations

Creation

21/09/2009 16:21:49

First validation

21/09/2009 16:21:49

Update

14/03/2023 15:13:55

Status update

14/03/2023 15:13:55

Last indexation

29/10/2024 12:12:43
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