Kristallstrukturen, Schwingungsspektren und Normalkoordinatenanalyse von cis-(n-Bu₄N)₂[ReBr₄(NCS)(SCN)], trans-(n-Bu₄N)₂[ReBr₄(NCS)(SCN)] und trans-(n-Bu₄N)₂[ReBr₄(NCSe)(SeCN)]

Abstract

The crystal structures of ds-(rc-Bu4N)2[ReBr4(NCS)(SCN)] (1) (monoclinic, space group P2,/tt, a = 11.203(3), b = 11.738(5), c = 35.218(7) Ä, ß = 93.434(4)°, Z = 4), trans-(n-Bu4N)2[ReBr4(NCS)(SCN)] (2) (monoclinic, space group P2,/n, a = 11.644(7), b = 13.695(3), c = 29.028(8) A, ß = 95.96(4)° Z = 4) and rra«5-(«-Bu4N)2[ReBr4(NCSe)(SeCN)] (3) (mono clinic, space group P2|/n, a = 11.894(2), b = 13.737 (2), c = 28.869(7) Ä, ß = 96.98(10)° Z = 4) have been determined by single crystal X-ray diffraction analysis. Based on these molecular parameters the low temperature (10 K) IR and Raman spectra of the (h-Bu4N) salts have been assigned by normal coordinate analysis. The valence force constants are fd(ReN) = 1.70 (1), 1.75 (2) and 1.75 (3), fd(ReS) = 1.32 (1) and 1.37 (2) and fd(ReSe) = 1.20 mdyn/A (3).

[TcI(NO)X(Cp)(PPh3)] Complexes (X–= I–, I3–, SCN–, CF3SO3–, or CF3COO–) and Their Reactions

“…The formation of coordination isomers with thiocyanato ligands is reported for many metals, including the heavier homologue of technetium, rhenium, and in some cases also isomerization reactions were observed. − Because the formation of a thiocyanato complex was unexpected and the reason for the preferred formation of the S -bonded complex in this particular ligand exchange on [Tc­(NO)­Cl­(Cp)­(PPh 3 )] is not clear, we performed some DFT calculations on the S- and N-bonded isomers. Indeed, there is a preference in total energy as well as in the Gibb’s energy of about 22 kJ/mol for the isothiocyanato complex, and the crystallized thiocyanato species should be regarded as a “kinetic product”.…”

Novel rhenium(iii, iv, and v) tetradentate N2O2 Schiff base mononuclear and dinuclear complexes

“…33,34,62 The Re-NCS bond distance of 2.13 (1) is longer than average literature values but still falls within the reported range albeit literature values are from mixed metal complexes and NCS saturated Re coordination environments. 53,54,[63][64][65] Experimental section…”

Kristallstrukturen, Schwingungsspektren und Normalkoordinatenanalyse von cis-(n-Bu4N)2[ReBr4(NCS)2 ], cis-(n-Bu4N)2[ReBr4(NCSe)2] und cis-(n-Bu4N)2[ReBr4(NCS)(NCSe)] / Crystal Structures, Vibrational Spectra and Normal Coordinate Analyses of cis-(n-Bu4N)2[ReBr4(NCS)2], cis-(n-Bu4N)2[ReBr4(NCSe)2,] and

“…Entsprechend der Arbeitsvorschrift in [7,9] werden durch Ionenaustauschchromatographie an DEAE-Cellulose aus Gemischen die reinen Komplexanionen cis-[ReBr4(NCS)2]2~ und c«-[ReBr4(NCSe)2]2-isoliert und zu den (/7-Bu4N)-Salzen aufgearbeitet. Bei Zugabe eini ger Tropfen Diethylether zur Lösung der (/?-Bu4N)-Salze in Aceton bilden sich beim Stehenlassen bei -20 °C Ein kristalle von c/s-(tt-Bu4N)2[ReBr4(NCS)2] (1) und cis-(n-Bu4N)2[ReBr4(NCSe)2] (2).…”