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The crystal structures of trans-[PtCl 2 (acac) 2 ](monoclinic, space group P2 1 /c, a - 7.616(5), b = 12.759(5), c = 7.892(5) Å, β = 118.459(5)°, Z = 2), trans-[PtBr 2 (acac) 2 ] (triclinic, space group P1̅, a = 7.502(5), b = 7.665(5), c = 8.155(5) Å, α = 114~508(5), β = 94.537(5), γ = 117.669(5)°. Z = 1) and trans-[Pt(SCN) 2 (acac) 2 ] (triclinic, space group P1̅ , a = 7.9095(10), b = 7.9393( 10), c = 7.9631 Å, a = 114.051 (10), β = 100.955(10), γ = 100.573(10)°, Z = 1) have been determined by single crystal X-ray diffraction analysis. The crystal structure of trans- [Ptl 2 (acac) 2 ] is known from the literature. To enhance the spectroscopic resolution, the IR and Raman spectra of the four complexes have been measured at low temperature (10 K). Using the X-ray data, normal coordinate analyses based on a modified valence force field have been performed and the normal modes of vibration for the octahedral skeleton [PtX 2 O 4 ] have been assigned. With a set of 19 or 23 force constants taking into account the inner-ligand vibrations a good agreement between observed and calculated frequencies has been achieved. The valence force constants are e.g.f d  (PtCl) = 2.16, f d  (PtBr) = 1.45, f d  (PtI) = 1.01, f d  (PtS) = 1.80 mdyn/Å, and f d  (PtO) ranges from 1.89 to 1.91 mdyn/Å.

zeitschrift für naturforschung b

Kristallstrukturen, Schwingungsspektren und Normalkoordinatenanalysen von trans-[PtX 2 (acac) 2 ], X = CI, Br, I, SCN / Crystal Structures, Vibrational Spectra and Normal Coordinate Analyses of trans-[PtX 2 (acac) 2 ], X = Cl, Br, I, SCN