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Crystal structure and vibrational analysis of Cyclo‐Triselenium Pentasulfide prepared by the reaction of titanocene pentasulfide with dichlorodiselane
Author(s) -
Rautenberg Norbert,
Steidel Jürgen,
Steudel Ralf,
Laitinen Risto
Publication year - 1982
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.19824860114
Subject(s) - monoclinic crystal system , molecule , chemistry , raman spectroscopy , crystallography , crystal structure , sulfur , crystal (programming language) , organic chemistry , programming language , physics , computer science , optics
Cyclo‐triselenium pentasulfide (1, 2, 3‐Se 3 S 5 ), prepared by the reaction of di‐π‐cyclo‐pentadienyltitanium pentasulfide with dichlorodiselane crystallizes as orange crystals in the monoclinic space group P2/c with the unit cell parameters a = 855.0(5), b = 1 334.0(8), c = 933.6(4) pm, and β = 124.17(5)°, and with four molecules in the unit cell. The Raman spectrum of the compound clearly shows the presence of 1, 2, 3‐Se 3 S 5 as main species and a normal coordinate analysis based on a Urey‐Bradley force field with 12 independent force constants resulted in very good agreement between observed and calculated wave numbers. A crystal structure determination proves the presence of eight‐membered crown‐shaped ring molecules but with sulfur and selenium atoms statistically distributed over the atomic positions. Anisotropic refinement with sulfur and selenium atoms refined separately gave an R‐value of 0.056.