File Download

There are no files associated with this item.

  Links for fulltext
     (May Require Subscription)
Supplementary

Article: Variable photon energy photoelectron spectroscopic and theoretical investigations of the electronic structure of TiCl4

TitleVariable photon energy photoelectron spectroscopic and theoretical investigations of the electronic structure of TiCl4
Authors
Issue Date1994
PublisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/ic
Citation
Inorganic Chemistry, 1994, v. 33 n. 22, p. 5086-5093 How to Cite?
AbstractThe photoelectron spectrum of TiCl4 has been measured using synchrotron radiation over the incident photon energy range 17-69 eV, and relative partial photoionization cross sections have been derived for the valence bands. Band A (1t1 -1) and band B (3t2 -1) display cross section variations typical of Cl 3p atomic orbital-localized levels. Bands C+D show cross section enhancement between 40 and 60 eV and are assigned to 1e-1 and 2t2 -1. Band E (2a1 -1) shows no such feature and has cross section behavior which is appreciably different from that of any of the other bands. The small cross section maximum at 40 eV is attributed to a molecular shape resonance. Discrete variational Xα calculations support this orbital ordering, and quantitative agreement is found between the experimental and calculated ionization energies. Photoionization cross sections were calculated using the multiple-scattering Xa method. Good agreement was found between experimental and theoretical branching ratios, confirming the assignment and suggesting that the resonances found in the 2t2 and 2a1 orbital cross sections are due to multiple scattering from the localized Cl electrons. The minimum in the 3t2 cross section is associated with the Cooper minimum of the Cl 3p orbital. © 1994 American Chemical Society.
Persistent Identifierhttp://hdl.handle.net/10722/157449
ISSN
2015 Impact Factor: 4.82
2015 SCImago Journal Rankings: 1.873

 

DC FieldValueLanguage
dc.contributor.authorBursten, BEen_US
dc.contributor.authorGreen, JCen_US
dc.contributor.authorKaltsoyannis, Nen_US
dc.contributor.authorMacdonald, MAen_US
dc.contributor.authorSze, KHen_US
dc.contributor.authorTse, JSen_US
dc.date.accessioned2012-08-08T08:50:03Z-
dc.date.available2012-08-08T08:50:03Z-
dc.date.issued1994en_US
dc.identifier.citationInorganic Chemistry, 1994, v. 33 n. 22, p. 5086-5093en_US
dc.identifier.issn0020-1669en_US
dc.identifier.urihttp://hdl.handle.net/10722/157449-
dc.description.abstractThe photoelectron spectrum of TiCl4 has been measured using synchrotron radiation over the incident photon energy range 17-69 eV, and relative partial photoionization cross sections have been derived for the valence bands. Band A (1t1 -1) and band B (3t2 -1) display cross section variations typical of Cl 3p atomic orbital-localized levels. Bands C+D show cross section enhancement between 40 and 60 eV and are assigned to 1e-1 and 2t2 -1. Band E (2a1 -1) shows no such feature and has cross section behavior which is appreciably different from that of any of the other bands. The small cross section maximum at 40 eV is attributed to a molecular shape resonance. Discrete variational Xα calculations support this orbital ordering, and quantitative agreement is found between the experimental and calculated ionization energies. Photoionization cross sections were calculated using the multiple-scattering Xa method. Good agreement was found between experimental and theoretical branching ratios, confirming the assignment and suggesting that the resonances found in the 2t2 and 2a1 orbital cross sections are due to multiple scattering from the localized Cl electrons. The minimum in the 3t2 cross section is associated with the Cooper minimum of the Cl 3p orbital. © 1994 American Chemical Society.en_US
dc.languageengen_US
dc.publisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/icen_US
dc.relation.ispartofInorganic Chemistryen_US
dc.titleVariable photon energy photoelectron spectroscopic and theoretical investigations of the electronic structure of TiCl4en_US
dc.typeArticleen_US
dc.identifier.emailSze, KH:khsze@hku.hken_US
dc.identifier.authoritySze, KH=rp00785en_US
dc.description.naturelink_to_subscribed_fulltexten_US
dc.identifier.scopuseid_2-s2.0-33746407657en_US
dc.identifier.volume33en_US
dc.identifier.issue22en_US
dc.identifier.spage5086en_US
dc.identifier.epage5093en_US
dc.publisher.placeUnited Statesen_US
dc.identifier.scopusauthoridBursten, BE=7005236825en_US
dc.identifier.scopusauthoridGreen, JC=7404572278en_US
dc.identifier.scopusauthoridKaltsoyannis, N=7004509648en_US
dc.identifier.scopusauthoridMacDonald, MA=7401502193en_US
dc.identifier.scopusauthoridSze, KH=7006735061en_US
dc.identifier.scopusauthoridTse, JS=7102607301en_US

Export via OAI-PMH Interface in XML Formats


OR


Export to Other Non-XML Formats