Infrared emission spectra of BeH and BeD

Abstract

High resolution infrared emission spectra of beryllium monohydride and monodeuteride have been recorded. The molecules were generated in a furnace-discharge source, at 1500 °C and 333 mA discharge current, with beryllium metal and a mixture of helium and hydrogen or deuterium gases. Approximately 160 BeH lines and 167 BeD lines for the vibrational bands v=1→0 to v=4→3 were observed in the spectra and spectroscopic constants were determined. The Dunham constants (Yl,m) and Born–Oppenheimer breakdown constants were obtained in a combined fit of the BeH and BeD data. The equilibrium rotational constants (Be) for BeH and BeD were found to be 10.319 59(3) cm−1 and 5.688 29(2) cm−1, respectively, while the equilibrium vibrational constants (ωe) are 2061.416(3) and 1529.956(3) cm−1. The equilibrium distance (Re) was determined to be 1.342 436(2) Å for BeH.

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 TeH and TeD

“…The emission source to generate TeH and TeD radicals was the same as in our previous studies of metal hydrides [14][15][16][17][18]. Tellurium powder was placed inside an alumina tube (5 cm · 120 cm) and heated to 500°C.…”

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.…”