Beryllium and magnesium hydroxides and fluorides

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Title:Beryllium and magnesium hydroxides and fluorides
Creators:
Zahradník, Rudolf
Brázda, Ota
Hess, B. Andes
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 56, 4, pp. 721-726

Abstract

A theoretical study of the reactivity of BeF<sub>2</sub>, Be(OH)<sub>2</sub>, BeF(OH), MgF<sub>2</sub>, Mg(OH)<sub>2</sub> and MgF(OH) was carried out at the MPn (<i>n</i> = 2, 3, 4)/6-31G**//SCF/6-31G** and CCD/6-31G**//SCF//6-31G** levels. Geometries and harmonic frequencies of the normal vibrational modes of the studied molecules are tabulated. Reaction energies and heats of reaction of MF<sub>2</sub> + OH<sup>-</sup> MF(OH) + F<sup>-</sup> and MF(OH) + OH<sup>-</sup> MF(OH)<sub>2</sub> + F<sup>-</sup> (M = Be, Mg) have been calculated and estimates for analogous processes involving calcium have been provided.

Title:Beryllium and magnesium hydroxides and fluorides
Creators:
Zahradník, Rudolf
Brázda, Ota
Hess, B. Andes
Divisions:Life and Chemical Sciences > Institute of Organic Chemistry and Biochemistry > Collection of Czechoslovak Chemical Communications
Journal or Publication Title:Collection of Czechoslovak Chemical Communications
Volume:56
Number:4
Page Range:pp. 721-726
ISSN:0010-0765
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc19910721UNSPECIFIED
ID Code:4988
Item Type:Article
Deposited On:22 Feb 2010 11:28
Last Modified:22 Feb 2010 10:28

Citation

Zahradník, Rudolf; Brázda, Ota; Hess, B. Andes (1991) Beryllium and magnesium hydroxides and fluorides. Collection of Czechoslovak Chemical Communications, 56 (4). pp. 721-726. ISSN 0010-0765

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