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Title: Resonant two-photon ionization spectroscopy of jet-cooled PdC

Abstract

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}more » {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.}« less

Authors:
; ;  [1]
  1. Department of Chemistry, University of Utah, Salt Lake City, Utah 84112 (United States)
Publication Date:
OSTI Identifier:
365978
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 111; Journal Issue: 9; Other Information: PBD: Sep 1999
Country of Publication:
United States
Language:
English
Subject:
66 PHYSICS; PALLADIUM COMPOUNDS; GROUND STATES; BOND LENGTHS; PALLADIUM CARBIDES; MULTI-PHOTON PROCESSES; PHOTOIONIZATION; MOLECULAR BEAMS; COOLING; ROTATIONAL STATES; L-S COUPLING; HYPERFINE STRUCTURE

Citation Formats

Langenberg, J.D., Shao, L., and Morse, M.D. Resonant two-photon ionization spectroscopy of jet-cooled PdC. United States: N. p., 1999. Web. doi:10.1063/1.479735.
Langenberg, J.D., Shao, L., & Morse, M.D. Resonant two-photon ionization spectroscopy of jet-cooled PdC. United States. doi:10.1063/1.479735.
Langenberg, J.D., Shao, L., and Morse, M.D. Wed . "Resonant two-photon ionization spectroscopy of jet-cooled PdC". United States. doi:10.1063/1.479735.
@article{osti_365978,
title = {Resonant two-photon ionization spectroscopy of jet-cooled PdC},
author = {Langenberg, J.D. and Shao, L. and Morse, M.D.},
abstractNote = {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.}},
doi = {10.1063/1.479735},
journal = {Journal of Chemical Physics},
number = 9,
volume = 111,
place = {United States},
year = {1999},
month = {9}
}