Kristallstrukturen und Normalkoordinatenanalyse von trans-(n-Bu₄N)₂ [ReCl₄IX], X = NCS, NCSe / Crystal Structures and Normal Coordinate Analyses of trans-(n-Bu₄ N)₂[ReCl₄ IX], X = NCS, NCSe

Abstract

The crystal structures of trans-(n-Bu4N)2[ReCl4I(NCS)] (triclinic, space group P1, a = 11.268(3), b = 11.696(2), c = 18.109(3) A, a = 98.68(2) β = 106.40(2), γ= 97.58(2)°, Z = 2)and trans-(n-Bu4N)2 [ReCl4I(NCSe)] (orthorhombic, space group P212121 a = 11.839(2), b = 12.2679( 10), c = 31.136(5) A, Z = 4) have been determined by single crystal X-ray diffraction analysis. Based on the molecular parameters of the X-ray determinations the low temperature (10 K) IR and Raman spectra o f the (n-Bu4N) salts have been assigned by normal coordinate analysis. The valence force constants are fd(ReN) = 1.69(NCS) and 1.65(NCSe) mdyn/Å

13 Manganese, technetium and rhenium

“…86 There have been many reports from the Kiel group of the synthesis of halide and pseudohalide complexes and their vibrational spectra and crystal structures. Species characterised are the cis-and trans-isomers of [ReCl 4 (NCSe)(SeCN)] 2À , 87 trans-[ReCl 4 (NCX)I] 2À (X S, Se), 88 both isomers of [ReBr 4 (NCS)(SCN)] 2À and the trans-form of the Se analogue, 89 and of fac-[ReCl 3 (NCSe) 3 ] 2À , mer,cis-[ReCl 3 (NCSe) 2 (SeCN)] 2À and mer,cis-[ReCl 3 I(NCSe) 2 ] 2À , all made from fac-[ReCl 3 I 3 ] 2À and (SeCN) 2 . 90 In a rare magnetochemical investigation of this oxidation state the new heterometallic polymer [{Cu(2,2 H -bipy) 2 }(m-ox)(m-Cl)ReCl 3 ] with alternate chloride and oxalate bridges shows ferrimagnetic interactions between Re(IV) and Cu(II).…”

Darstellung, Schwingungsspektren und Normalkoordinatenanalyse von bindungsisomeren Halogenoselenocyanatorhenaten(IV) sowie Kristallstrukturen von mer-(Ph4P)2[ReCl3(NCSe)2 cis (SeCN)] und mer-(n-Bu4N)2[ReCl3I(NCSe)2 cis] / Synthesis, Vibrational Spectra and Normal Coordinate Analysis of Linkage Isomeric Halogenoselenocyanatorhenates(IV) and Crystal Structures of m

“…In den letzten Jahren ist für eine gan ze Reihe oktaedrischer Halogenothiocyanatoosmate(IV) durch Röntgenstrukturanalysen die Koordi nation sowohl über N als auch über S bewiesen worden [2,3]. Die Kristallstrukturen einiger bin dungsisomerer Halogenoselenocyanatorhenate(IV) haben wir erst kürzlich beschrieben [4][5][6][7]. Die Dar stellung, Schwingungs-und Elektronenspektren ei niger Chloroselenocyanato(N,Se)-rhenate(IV) sind schon länger bekannt [8].…”