Crystal structure of (Me4N)3[Ir(SCN)6], vibrational spectra and normal coordinate analysis

被引：0

作者：

Rohde, JU ^{[1
]}

Preetz, W ^{[1
]}

机构：

[1] Univ Kiel, Inst Anorgan Chem, D-24098 Kiel, Germany

来源：

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE | 1998年 / 624卷 / 08期

关键词：

hexathiocyanato(S)-iridate(III); crystal structure; vibrational spectra; normal coordinate analysis;

D O I：

10.1002/(SICI)1521-3749(199808)624:8<1319::AID-ZAAC1319>3.0.CO;2-Q

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

From a mixture of the linkage isomers [Ir(NCS)(n)(SCN)(6-n)](3-), n=0-2, pure [Ir(SCN)(6)](3-) has been isolated by ion exchange chromatography on diethylaminoethyl cellulose. The X-ray structure determination on a single crystal of (Me4N)(3)[Ir(SCN)(6)] (trigonal, space group R (3) over bar, a = 14.838(2), c = 23.827(1) Angstrom, Z = 6) reveals the presence of two crystallographically independent complex anions which C-3i symmetry correlates with the cation/anion ratio 3:1. The thiocyanate ligands are exclusively S-coordinated with the average IrS distance of 2.384 Angstrom and the Ir-S-C angle of 106.4 degrees. The torsion angles S-Ir-S-C are 17.5 and 42.1 degrees. The IR and Raman spectra of the (n-Bu4N) salt are assigned by normal coordinate analysis based on the molecular parameters of the X-ray determination. The valence force constant f(d)(IrS) is 1.57 mdyn/Angstrom.

引用

页码：1319 / 1323

页数：5

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