14018-82-7Relevant academic research and scientific papers
Vibration-rotation emission spectra of gaseous ZnH2 and ZnD 2
Shayesteh, Alireza,Appadoo, Dominique R. T.,Gordon, Iouli E.,Bernath, Peter F.
, p. 14356 - 14357 (2004)
Gaseous ZnH2 and ZnD2 have been discovered in an emission source that combines an electrical discharge with a high-temperature furnace. High-resolution infrared emission spectra of ZnH2 and ZnD2 have been recorded with a Fourier transform spectrometer, and the antisymmetric stretching fundamental bands of 64ZnH2 and 64ZnD2 were detected near 1889.4 and 1371.6 cm-1, respectively. Rotational analysis of the bands yielded r0 bond distances of 1.535271(1) and 1.531836(9) A for linear 64ZnH2 and 64ZnD2, respectively. Copyright
Methylzinc tetrahydroborate: Physical and chemical properties and crystal structure at low temperature
Aldridge, Simon,Blake, Alexander J.,Downs, Anthony J.,Parsons, Simon,Pulham, Colin R.
, p. 853 - 859 (1996)
Methylzinc tetrahydroborate, MeZnBH4, has been prepared by two routes and initially characterized by elemental analysis and its spectroscopic properties. The structure has been determined by X-ray crystallography at 150 K [trigonal, space group R3c, a = b = 15.831(10), c = 8.36(2) A, Z = 18, R = 0.072] to reveal helical polymers in which MeZn+ and BH4- units alternate, with the latter functioning as a bidentate ligand with respect to both of the adjacent metal atoms. It thus resembles the structure of solid Be(BH4)2 with the difference that the zinc is five-co-ordinated, the Me and H ligands adopting a distorted square-pyramidal geometry. Chemical properties of methylzinc tetrahydroborate investigated include its thermal decomposition and its reactions with ammonia, dimethyl sulfide, triphenylphosphine and CO; disproportionation into Me2Zn and Zn(BH4)2 appears to be a common feature of its chemistry.
Homogeneous decomposition mechanisms of diethylzinc by Raman spectroscopy and quantum chemical calculations
Kim, Young Seok,Won, Yong Sun,Hagelin-Weaver, Helena,Omenetto, Nicolo,Anderson, Tim
, p. 4246 - 4253 (2009/02/01)
The gas-phase decomposition pathways of diethylzinc (DEZn), a common precursor for deposition of Zn-VI compounds, were investigated in detail. The homogeneous thermal decomposition of DEZn in N2 carrier was followed in an impinging-jet, up-flow reactor by Raman scattering. Density Functional Theory calculations were performed to describe the bond dissociation behavior using the model chemistry B3LYP/6-311G(d) to estimate optimal geometries and Raman active vibrational frequencies of DEZn, as well as anticipated intermediates and products. Comparison of the measured DEZn decomposition profile to that predicted by a 2-D hydrodynamic simulation revealed that simple bond dissociation between zinc and carbon atoms is the dominant homogeneous thermal decomposition pathway. The calculations suggest several reactions involving intermediates and Raman scattering experiments confirming the formation of the dimer (ZnC2H5)2. In a different set of experiments, photolysis of DEZn gave evidence for decomposition by β-hydride elimination. The results suggest that β-hydride elimination is a minor pathway for the gas-phase homogeneous pyrolysis of diethylzinc. A reasonable transition state during β-hydride elimination was identified, and the calculated energies and thermodynamic properties support the likelihood of these reaction steps.
