13573-02-9Relevant academic research and scientific papers
Spectroscopic detection and characterization of iodogermylene (HGel)
Harper, Warren W.,Klusek, Chad M.,Clouthier, Dennis J.
, p. 9300 - 9305 (1998)
Monoiodogermylene has been detected for the first time using pulsed discharge and laserinduced fluorescence techniques. HGeI and DGeI were produced by an electric discharge through argon seeded with H3GeI or D3GeI. Although the vibronic structure in the spectra was very limited, all three excited state vibrational frequencies have been obtained for both isotopomers. Analysis of the partially resolved rotational structure of the 000 bands gave the following approximate r0 structures, with the bond angles constrained to previous ab initio values: r0″(Ge-I)=2.525(10)A, r0″(H-Ge)=1.593(15)A, θ0″(HGeI)=93.5°, r0′(Ge-I)=2.515(10)A, r0′(H-Ge)=1.618(15)A, and θ0′(HGeI)=116.2°. The fluorescence lifetime of monoiodogermylene in the lowest rovibronic levels is 1.515±0.004μs and shows significant variations on deuteration and with rotational and vibrational level.
Single vibronic level emission spectroscopic studies of the ground state energy levels and molecular structures of jet-cooled HGeBr, DGeBr, HGeI, and DGeI
Tackett, Brandon S.,Li, Yunjing,Clouthier, Dennis J.,Pacheco, Kezia L.,Schick, G. Alan,Judge, Richard H.
, (2008/10/09)
Single vibronic level dispersed fluorescence spectra of jet-cooled HGeBr, DGeBr, HGeI, and DGeI have been obtained by laser excitation of selected bands of the A1 A″-X 1 A′ electronic transition. The measured ground state vibrational intervals were assigned and fitted to anharmonicity expressions, which allowed the harmonic frequencies to be determined for both isotopomers. In some cases, lack of a suitable range of emission data necessitated that some of the anharmonicity constants and vibrational frequencies be estimated from those of HGeCl/DGeCl and the corresponding silylenes (HSiX). Harmonic force fields were obtained for both molecules, although only four of the six force constants could be determined. The ground state effective rotational constants and force field data were combined to calculate average (rz) and approximate equilibrium (rze) structures. For HGeBr rez(GeH) = 1.593(9) A, rez(GeBr)=2.325(21) A, and the bond angle was fixed at our CCSD(T)/aug-cc-pVTZ ab initio value of 93.6°. For HGeI we obtained rez(GeH) = 1.589(1) A, r ez(GeI)=2.525(5) A, and bond angle=93.2°. Franck-Condon simulations of the emission spectra using ab initio Cartesian displacement coordinates reproduce the observed intensity distributions satisfactorily. The trends in structural parameters in the halogermylenes and halosilylenes can be readily understood based on the electronegativity of the halogen substituent.
