Electron momentum spectroscopy of formic acid
作者： K.L. Nixon , W.D. Lawrance , M.J. Brunger
DOI: 10.1016/J.CPLETT.2009.04.017
关键词:
摘要: Abstract This study constitutes the first electron momentum of monomer formic acid, without contributions from dimer. Orbital energies and distributions for seven highest occupied orbitals are given. The experimental compared with theoretical predictions wavefunction using density function theory a B3LYP/TZVP basis set. It was found that s or hybrid character were well represented by calculations, however agreement between data two p -type (2a″ 1a″) poor. latter observation is consistent previous results π∗ studied spectroscopy.
harvard.edu
flinders.edu.au
cheric.org
elsevier.com
core.ac.uk 参考文章(26)
K.L. Nixon, W.D. Lawrance, D.B. Jones, P. Euripidies, S. Saha, F. Wang, M.J. Brunger, An (e,2e) coincidence study of formic acid monomer and dimer Chemical Physics Letters. ,vol. 451, pp. 18- 24 ,(2008) , 10.1016/J.CPLETT.2007.11.070
John Frederick Beck, Yirong Mo, How resonance assists hydrogen bonding interactions: an energy decomposition analysis. Journal of Computational Chemistry. ,vol. 28, pp. 455- 466 ,(2007) , 10.1002/JCC.20523
Yuguang Ma, Peter Politzer, Determination of noncovalent interaction energies from electronic densities. Journal of Chemical Physics. ,vol. 120, pp. 8955- 8959 ,(2004) , 10.1063/1.1698545
L Frost, E Weigold, Electron coincidence spectroscopy of sodium and potassium Journal of Physics B. ,vol. 15, pp. 2531- 2538 ,(1982) , 10.1088/0022-3700/15/15/025
M Takahashi, T Saito, J Hiraka, Y Udagawa, The impact energy dependence of momentum profiles of glyoxal and biacetyl and comparison with theory at their high-energy limits Journal of Physics B. ,vol. 36, pp. 2539- 2551 ,(2003) , 10.1088/0953-4075/36/12/312
I E McCarthy, E Weigold, Electron momentum spectroscopy of atoms and molecules Reports on Progress in Physics. ,vol. 54, pp. 789- 879 ,(1991) , 10.1088/0034-4885/54/6/001
S.M. Bharathi, S.K. Datta, A.M. Grisogono, R. Pascual, E. Weigold, W. von Niessen, Investigation of the complete valence shell of formic acid by electron momentum spectroscopy and Green's function methods Journal of Electron Spectroscopy and Related Phenomena. ,vol. 53, pp. 51- 78 ,(1990) , 10.1016/0368-2048(90)80341-7
Junfang Gao, D H Madison, J L Peacher, Theoretical calculation of fully differential cross sections for electron-impact ionization of hydrogen molecules Journal of Physics B. ,vol. 39, pp. 1275- 1284 ,(2006) , 10.1088/0953-4075/39/6/002
Violaine Vizcaino, M Jelisavcic, JP Sullivan, SJ Buckman, None, Elastic electron scattering from formic acid (HCOOH): absolute differential cross-sections New Journal of Physics. ,vol. 8, pp. 85- 85 ,(2006) , 10.1088/1367-2630/8/6/085
C E Brion, Y Zheng, J Rolke, J J Neville, I E McCarthy, J Wang, Distorted-wave effects at low momentum in binary (e, 2e) cross sections for d-orbital ionization Journal of Physics B. ,vol. 31, ,(1998) , 10.1088/0953-4075/31/5/003