Resonant two-photon ionization spectroscopy of jet-cooled PdC
- Department of Chemistry, University of Utah, Salt Lake City, Utah 84112 (United States)
The first optical investigation of the spectra of diatomic PdC has revealed that the ground state has {Omega}=0{sup +}, with a bond length of r{sub 0} =1.712{Angstrom}. The Hund{close_quote}s case (a) nature of this state could not be unambiguously determined from the experimental data, but dispersed fluorescence studies to be reported in a separate publication, in combination with a comparison to theoretical calculations, demonstrate that it is the 2{delta} {sup 4} 12{sigma} {sup 2}, {sup 1} {Sigma} {sub 0{sup +}} {sup +} state, which undergoes spin{endash} orbit mixing with a low-lying 2{delta} {sup 4} 12{sigma} {sup 1} 6{pi} {sup 1}, {sup 3} {Pi} {sub 0 {sup +}} state. An excited {sup 3} {Sigma} {sup +} state with r{sub e}=1.754{plus_minus} 0.003 {Angstrom} (r{sub 0} =1.758{plus_minus} 0.002{Angstrom}) and {Delta}G {sub 1/2}=794 cm{sup {minus}1} is found at T{sub 0}=17 867 cm {sup {minus} 1}. Although only the {Omega}=1 component of this state is directly observed, the large hyperfine splitting of this state for the {sup 105} Pd {sup 12}C isotopomer implies that an unpaired electron occupies an orbital that is primarily of 5s character on Pd. Comparison to {ital ab initio} calculations identifies this state as 2{delta} {sup 4} 12{sigma} {sup 1} 13{sigma} {sup 1}, {sup 3} {Sigma} {sub 1} {sup +}. To higher wavenumbers a number of transitions to states with {Omega}=0{sup +} have been observed and rotationally analyzed. Two groups of these have been organized into band systems, despite the clear presence of homogeneous perturbations between states with {Omega}=0 {sup +} in the region between 22 000 and 26 000 cm{sup {minus}1}. {copyright} {ital 1999 American Institute of Physics.}
- OSTI ID:
- 365978
- Journal Information:
- Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 9 Vol. 111; ISSN JCPSA6; ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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