Tm. Klapotke et T. Schutt, Synthesis, characterization, crystal structure and hybrid DFT computation of the chlorooxoarsenate(III), [NMe4](2)[AS(4)O(2)Cl(10)] center dot 2 CH3CN, Z NATURFO B, 56(3), 2001, pp. 301-305
Citations number
30
Categorie Soggetti
Chemistry
Journal title
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES
[NMe4](2)[AS(4)O(2)Cl(10)] . 2CH(3)CN was recovered by the reaction of [NMe
4][N-3] with AsCl3 in CH3CN under aerobic conditions. This compound was als
o obtained directly by the reaction of AsCl3, As2O3 and [NMe4][Cl] in aceto
nitrile. The structure was determined by X-ray diffraction. [NMe4](2)[As4O2
Cl10] . 2 CH3CN crystallizes in the orthorhombic space group Fmmm with a =
11.4144(8), b = 14.732(1) and c = 19.803(2) Angstrom, with 4 formula units
per unit cell. The frequencies obtained by Raman and infrared spectroscopy
were assigned to the normal modes of the normal modes of the [AS(4)O(2)Cl(1
0)](2-) anion in comparison with computational results. The bonding situati
on in the [As4O2Cl10](2-) anion was elucidated on the basis of an NBO analy
sis on the crystallographic data.