Title

Hyperfine interaction and chemical bonding in the PdH molecule

ACS Citation

Knight, L. B.; Weltner, W. Hyperfine interaction and chemical bonding in the PdH molecule. J. Mol. Spectrosc. 1971, 40, 317-327.

Abstract

The ESR spectra of PdH and PdD molecules in the 2Σ+ ground state have been observed while trapped in argon (and krypton) matrices at 4°K. The hyperfine coupling tensor components relative to both 105Pd and H or D nuclei were determined and g tensor components found to be g‖ = 1.965, g⊥ = 2.293. Analysis of these data indicate that the ground-state configuration of PdH is KLMNsp (4dδ)4(4dπ)4(5sσ)2(4dσ) and that an excited 2Πi state of configuration ⋯(4dπ)3(5σs)2(4dσ)2 lies about 20,000 cm−1 above the X2Σ. The value of g⊥ is in accord with this and also in accord with the observed large negative value of γ0, the spin-doubling constant in the ground state. The spin density on H is small (probably <10%) indicating that the bonding is highly ionic.

Source Name

Journal of Molecular Spectroscopy

Publication Date

1-1-1971

Volume

40

Issue

2

Page(s)

591-616

Document Type

Citation

Citation Type

Article