Pielnhofer, Florian and Schoop, Leslie M. and Kuhn, Alexander and Eger, Roland and Nuss, Juergen and Nuss, Hanne and Lotsch, Bettina V. (2019) New Light on an Old Story: The Crystal Structure of Boron Tetrathiophosphate Revisited. ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 645 (3). pp. 267-271. ISSN 0044-2313, 1521-3749
Full text not available from this repository. (Request a copy)Abstract
The crystal structure of boron tetrathiophosphate BPS4 was reinvestigated using single-crystal X-ray diffraction. The structure shows unidimensional chains similar to SiS2 as structural motifs. BPS4 crystallizes in the orthorhombic space group Ibam (no. 72), with a = 5.6173(3), b = 8.9929(4), c = 5.2433(3) angstrom and V = 264.87(2) angstrom(3) and is closely related to the orthorhombic high-temperature modification of AlPS4 (ht-AlPS4). The SiS2-like chains are all oriented parallel to the c axis, which explains the needle-like morphology and that the crystals easily cleave to thinner needles under mechanical stress. While ht-AlPS4 shows an ordered Al-P sublattice, the B-P sublattice in BPS4 is substantially disordered. The thermal properties of BPS4 were investigated by DTA measurements and a detailed analysis of the Raman spectrum assisted by quantum mechanical calculations is presented. The crystallographic disorder in BPS4 is the result of inter-chain disorder, whereas local intra-chain ordering of B and P can be concluded from Raman spectroscopy.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | NORMAL-COORDINATE ANALYSIS; PERIODIC COMPOUNDS; HARTREE-FOCK; THIOPHOSPHATES; COMPOUND; SPECTRUM; Thiophosphate; BPS4; Boron; Single-crystal X-ray diffraction; Raman spectroscopy |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Anorganische Chemie Chemistry and Pharmacy > Institut für Anorganische Chemie > Chair Prof. Dr. Arno Pfitzner |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 17 Apr 2020 07:11 |
| Last Modified: | 17 Apr 2020 07:11 |
| URI: | https://pred.uni-regensburg.de/id/eprint/27537 |
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