ChemInform Abstract: Crystal Structures, Spectroscopic Analysis, and Normal Coordinate Analysis of (n-Bu4N)2[M(ECN)4] (M: Pd, Pt; E: S, Se).

The crystal structures of cis-(n-Bu4N)2[ReCl4(NCS)2] (triclinic, space group P1̅, a = 11,245( 1), b = 20.174(3), c = 21.320(8) Å, a =109.06(2), β = 96.46(2), γ = 98.22(5)°, Z = 4) and cis-(Ph4P)2[ReCl4(NCSe)2]·2CH2Cl2 (triclinic, space group P1̅, a = 10.341(2), b = 13.436(3), c = 19.616(4) Å, α = 92.70(2), β = 92.02(2), γ = 89.99( 1)°, Z= 2) have been determined by single crystal X-ray diffraction analysis. Both ambidentate ligands NCS and NCSe are bonded via the N atom. Using the molecular parameters of the X-ray determinations the low temperature (10 K) IR and Raman spectra of the (n-Bu4N) salts have been assigned by normal coordinate analysis based on a modified valence force field. The valence force constants fd(ReN) are 1,78(NCS) and 1,79(NCSe) mdyn/ Å.

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

Zeitschrift für Naturforschung B ◽

10.1515/znb-1999-1002 ◽

1999 ◽

Vol 54 (10) ◽

pp. 1222-1228 ◽

Cited By ~ 1

Author(s):

S. Strueß ◽

W. Preetz

Keyword(s):

Crystal Structures ◽

Exchange Chromatography ◽

Normal Coordinate Analysis ◽

Monoclinic Space Group ◽

X Ray Diffraction ◽

Normal Coordinate ◽

Triclinic Space Group ◽

Space Group ◽

X Ray ◽

Diethylaminoethyl Cellulose

By treatment of fac-[ReCl3I3]2- with (SeCN)2 indichloromethane fac-[ReCl3(NCSe)3]2- (1), mer-[ReCl3(NCSe)2cis (SeCN)]2- (2) and mer-[ReCl3I(NCSe)2cis]2- (3) are formed which have been separated by ion exchange chromatography on diethylaminoethyl cellulose. The crystal structures of mer-(Ph-P)2[ReCl3(NCSe)2cis(SeCN)] (triclinic, space group Pl̅, a = 16.099(1), b = 16.729(3), c =21.026(2) Å, α = 70.194(10), ß = 73.958(10), γ = 83.929(10)°, Z = 4) and mer-(n-Bu4N)2[ReCl3|(NCSe)2cis] (monoclinic, space group P21/c, a = 11.838(1), b = 12.796(2), c = 30.767(2) Å, ß = 97.419(6)°, 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 of the (n-Bu4N) salts have been assigned by normal coordinate analysis. The valence force constants are fd(ReN) = 1.79 (1), 1.71 (2), 1.71 (3) and fd(ReSe) = 1.15 (2) mdyn/Å.

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Kristallstrukturen, Schwingungsspektren und Normalkoordinatenanalyse von cis- und trans-[ReCl4 (NCSe)(SeCN)]2- / Crystal Structures, Vibrational Spectra, and Normal Coordinate Analysis of cis- and trans-[ReCl4 (NCSe)(SeCN)]2-

Zeitschrift für Naturforschung B ◽

10.1515/znb-1999-0311 ◽

1999 ◽

Vol 54 (3) ◽

pp. 357-362 ◽

Cited By ~ 2

Author(s):

S. Strueß ◽

W. Preetz

Keyword(s):

Low Temperature ◽

Crystal Structures ◽

Normal Coordinate Analysis ◽

Monoclinic Space Group ◽

X Ray Diffraction ◽

Normal Coordinate ◽

Space Group ◽

X Ray ◽

Cis And Trans ◽

Ir And Raman

The crystal structures of cis-(n-Bu4N)2[ReCl4(NCSe)(SeCN)] (monoclinic, space group P21/n a = 10.794(3), b = 11.687(3), c = 35.716(4) Å, β = 96.97(1)°, Z = 4) and trans- (CH2Py2)[ReCl4(NCSe)(SeCN)] (monoclinic, space group P21/c, a = 8.348(2), b = 7.518(1), c - 31.295(7) Å, ß = 97.12(2)°, 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 of the (n-Bu4N) salts have been assigned by normal coordinate analysis. The valence force constants are fd(ReN) = 1.68 and fd(ReSe) =1.15 mdyn/Å.

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