Electron spin resonance investigation of Sc?+ in neon matrices and assignment of its ground electronic state as X ???. comparison with theoretical calculations

Update item information
Publication Type Journal Article
School or College College of Science
Department Chemistry
Creator Morse, Michael David
Other Author Knight, Lon B.; McKinley, Allan J.; Babb, Robert M.; Hill, Devon W.
Title Electron spin resonance investigation of Sc?+ in neon matrices and assignment of its ground electronic state as X ???. comparison with theoretical calculations
Date 1993
Description The discandium radical cation, Sc+2 , has been isolated in neon matrices at 4 K and studied by electron spin resonance (ESR) spectroscopy and theoretical methods. It was produced by the x-irradiation of neon matrix samples containing neutral ScZ which was formed by trapping the products generated from the pulsed laser vaporization of scandium metal. The experimental and theoretical findings indicate that Sc2+ has a 4?-g electronic ground state compared to an X5?-u; state for the neutral discandium radical. The large decrease in the 45Sch hyperfine interaction (A tensor) going from ScZ to SC? provides direct experimental information concerning the types of valence molecular orbitals that are involved in these diatomic radicals. The neon matrix magnetic parameters for 45Sc2+ are gll~ 2.00, gl =1.960(l), I+ ]=28(6), and IA, | =26.1(3) MHZ; the D value (zero field splitting) was 15 38 l(3) MHz. Ab initio configuration interaction (CI) calculations of the nuclear hyperfine interactions yielded results in reasonable agreement with the experimental observations.
Type Text
Publisher American Institute of Physics (AIP)
Volume 99
Issue 10
First Page 7376
Last Page 7383
DOI 10.1063/1.465718
Language eng
Bibliographic Citation Knight, L. B., McKinley, A. J., Babb, R. M., Hill, D. W., & Morse M. D. (1993). Electron spin resonance investigation of Sc?+ in neon matrices and assignment of its ground electronic state as X ???. comparison with theoretical calculations. Journal of Chemical Physics, 99(10), 7376-83.
Rights Management ¬©American Institute of Physics. The following article appeared in Knight, L. B., McKinley, A. J., Babb, R. M., Hill, D. W., & Morse M. D. (1993). Electron spin resonance investigation of Sc?+ in neon matrices and assignment of its ground electronic state as X ???. comparison with theoretical calculations. Journal of Chemical Physics, 99(10), 7376-83. and may be found at http//dx.doi.org/10.1063/1.465718.
Format Medium application/pdf
Format Extent 1,069,867 bytes
Identifier ir-main,16944
ARK ark:/87278/s6rj5357
Setname ir_uspace
Date Created 2012-06-13
Date Modified 2012-06-13
ID 707042
Reference URL https://collections.lib.utah.edu/ark:/87278/s6rj5357
Back to Search Results