Born–Oppenheimer Breakdown Effects from Rotational Analysis of theA1Σ+–X1Σ+Band System of BeH+, BeD+, and BeT+

✍ Scribed by John A. Coxon; R. Colin

• Publisher: Elsevier Science
• Year: 1997
• Tongue: English
• Weight: 292 KB
• Volume: 181
• Category: Article
• ISSN: 0022-2852
• DOI: 10.1006/jmsp.1996.7153

✦ Synopsis

The A 1 S / -X 1 S / band system of BeH / , BeD / , and BeT / has been photographed at high resolution and rotationally analyzed. Together with literature data (W. W. Watson and R. F. Humphreys, Phys. Rev. 52, 318-321 (1937)) for £Љ Å 7-10 of BeH / , the data set samples vibrational levels that extend up to É2/3 and É1 /2 of the well depths of the X and A states, respectively. The measured line positions were employed in a global least-squares fit of the molecular Hamiltonians for the two states that take account of Born-Oppenheimer breakdown effects and in which a modified Lennard-Jones (MLJ) function is employed for the potential energy. The fit reproduces the measurements to within the estimated accuracy (É0.05 cm 01 ).