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Structure Data of Free Polyatomic Molecules
317
OP2
Diphosphorus monoxide
C∞v
MW, ab initio
P=P=O
calculations
CCSD(T)/cc-pVTZ calculations yielded re values of P=P = 1.9044 Å and P=O = 1.4806 Å,
which led to the equilibrium rotational constant Be of 3846.04 MHz, to be compared with the
observed Be + γℓℓ value of 3917.9729(57) MHz.
Bailleux, S., Bogey, M., Demuynck, C., Destombes, J.-L., Liu, Y., Császár, A.G.: J. Chem.
Phys. 107 (1997) 8317.
Landolt-Börnstein
New Series II/28A