CRYSTAL-STRUCTURE AND RESONANCE RAMAN-SPECTROSCOPIC STUDY OF INO-1,2,4-TRIAZOLYL)]TRIAZENIDO-N'4,N2,N''4)CHLORO PALLADIUM(II)-METHANOL-(1 1)/

The crystal and molecular structure of the complex [Pd(batt)Cl]. CH3OH , in which Hbatt is 1,3-bis[3-(5-amino-1,2,4-triazoly])]triazene, has been determined by X-ray diffraction methods. The crystals are triclin ic, space group P-T (a = 10.1883(9) Angstrom, b = 10.5095(8)Angstrom, c = 13.1760(11) Angstrom, alpha = 94.518(6)degrees, beta = 109.040(7)d egrees, gamma = 113.678(7)degrees; Z = 4). The deprotonated batt(-) li gand exhibits terdentate chelate coordination with a new nitro-type li gation mode of the triazenido group and N-4 coordination of the two ou ter triazolyl substituents. The asymmetric unit contains two crystallo graphically independent, almost parallel Pd(batt)CI molecules with Pd- Pd contacts of 3.4584(7)Angstrom and two independent methanol molecule s. The complexes are packed in a layer structure with numerous intermo lecular H-bond connections. Raman spectra have been recorded for vario us excitation wavelengths along the contour of the intense triazenido pi-pi* absorption band at 465 nm and resonance profiles measured for t he most important Raman bands. A comparison is made with the analog [C u(batt)Cl] complex. Structural and spectral differences between the tw o molecules are emphasized and related to differences in metal-ligand bonding.