Infrared emission spectra of BeH2 and BeD2

Abstract

High resolution infrared emission spectra of beryllium dihydride and dideuteride have been recorded with a Fourier transform spectrometer. The molecules were generated in a discharge-furnace source, at 1500°C and 333 mA discharge current, with beryllium metal and a mixture of helium and hydrogen or deuterium gases. The antisymmetric stretching modes ( 3 ) of BeH 2 and BeD 2 , as well as several hot bands involving 1 , 2 , and 3 , were rotationally analyzed and spectroscopic constants were determined. The equilibrium rotational constant (B e ) of BeH 2 was found to be 4.753 66͑2͒ cm Ϫ1 , and the equilibrium bond distance (R e ) of 1.326 407͑3͒ Å was determined for BeH 2 .

Gaseous HgH2, CdH2, and ZnH2

“…The bond lengths and vibrational frequencies for group 2 metal dihydrides [26][27][28][29] are also reported in Table 1 for comparison. The HgH 2 , CdH 2 , and ZnH 2 molecules have shorter bond lengths and higher vibrational frequencies than those for magnesium dihydride.…”

“…[32] Considering the fact that aqueous Hg II in natural waters is reduced to volatile Hg 0 by microorganisms, [3] HgH 2 , CdH 2 , and ZnH 2 may be produced similarly in the environment under certain conditions. In summary, gaseous HgH 2 , HgD 2 , CdH 2 , and CdD 2 were observed for the first time from the direct reaction of metal vapor with molecular hydrogen/deuterium in the presence [27] of an electrical discharge. High-resolution infrared emission spectra of these molecules were recorded, and the antisymmetric stretching fundamental bands were rotationally analyzed to obtain r 0 bond lengths.…”

Calculations of the ground states of BeH and BeH+ without the Born-Oppenheimer approximation

“…The former can be compared with the experimental equilibrium distance r e of 2.536 837 a.u. 22,23 In a non-BO calculation the structure of a molecular system can only be determined through expectation values of the geometrical parameters. One can also plot the nucleusnucleus correlation function.…”

Infrared and near infrared emission spectra of SbH and SbD

“…Recently, our laboratory has been recording infrared spectra of metal monohydrides (e.g., BeH [13], MgH [14]) and metal dihydrides (e.g., BeH 2 [15], MgH 2 [16]). Our interest in SbH was sparked by the fact that the ro-vibrational data for SbH were very sparse, and the possibility of observing the SbH 2 radicals.…”