THEORETICAL AND EXPERIMENTAL SHAKE-UP STUDIES ON THE XE CORE LEVEL ESCA OF XEF2

被引:28
作者
TSE, JS
BRISTOW, DJ
BANCROFT, GM
SCHROBILGEN, G
机构
[1] UNIV WESTERN ONTARIO,DEPT CHEM,LONDON N6A 3K7,ONTARIO,CANADA
[2] UNIV WESTERN ONTARIO,CTR CHEM PHYS,LONDON N6A 3K7,ONTARIO,CANADA
[3] MCMASTER UNIV,DEPT CHEM,HAMILTON L8S 4L8,ONTARIO,CANADA
关键词
D O I
10.1021/ic50197a008
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
By obtaining the ESCA of XeF2to high statistics, we have observed a number of satellites on the low-kinetic-energy side of the Xe 3d and 4d primary photolines. These satellites are attributed to shake-up. Using ground-state MO's for Xe and XeF2, Rydberg levels for Xe and XeF2from the UV spectra, and the Xe gas shake-up spectrum, we have constructed a Xe 3d hole state MO diagram for XeF2. The shake-up peaks have been assigned by using this MO diagram, and the calculated shake-up energies are generally in very good agreement with experiment. An SCF-Xα-SW calculation on the 3d hole state of XeF2provides further confirmation of our shake-up assignment. An SCF-Xα-SW calculation on the XeF2ground state gives good agreement with the experimental valence-band energies and intensities. © 1979, American Chemical Society. All rights reserved.
引用
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页码:1766 / 1771
页数:6
相关论文
共 45 条
[1]   THEORY OF X-RAY SATELLITES [J].
ABERG, T .
PHYSICAL REVIEW, 1967, 156 (01) :35-&
[2]   ASYMPTOTIC DOUBLE-PHOTOEXCITATION CROSS SECTIONS OF HELIUM ATOM [J].
ABERG, T .
PHYSICAL REVIEW A, 1970, 2 (05) :1726-&
[3]  
ABERG T, 1969, ANN ACAD SCI FENN A6, P1
[4]   SATELLITES IN X-RAY PHOTOELECTRON-SPECTRA OF TRANSITION-METAL COMPOUNDS [J].
ASADA, S ;
SUGANO, S .
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1976, 41 (04) :1291-1299
[5]   METHOD FOR CALCULATING MOLECULAR RYDBERG STATES [J].
AVERILL, FW ;
WALKER, TEH ;
WABER, JT .
JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (07) :2907-2912
[6]   PHOTOELECTRON-SPECTRA OF SOLID INORGANIC AND ORGANOMETALLIC COMPOUNDS USING SYNCHROTRON RADIATION - VALENCE BAND SPECTRA AND LIGAND-FIELD BROADENING OF CORE D LEVELS [J].
BANCROFT, GM ;
SHAM, TK ;
EASTMAN, DE ;
GUDAT, W .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (06) :1752-1762
[7]   ESCA STUDY OF SPUTTERED PLATINUM FILMS [J].
BANCROFT, GM ;
ADAMS, I ;
COATSWORTH, LL ;
BENNEWITZ, CD ;
BROWN, JD ;
WESTWOOD, WD .
ANALYTICAL CHEMISTRY, 1975, 47 (03) :586-588
[8]   GAS-PHASE ESCA STUDIES OF VALENCE AND CORE LEVELS IN XEF2 AND XEF4 [J].
BANCROFT, GM ;
MALMQUIST, PA ;
SVENSSON, S ;
BASILIER, E ;
GELIUS, U ;
SIEGBAHN, K .
INORGANIC CHEMISTRY, 1978, 17 (06) :1595-1599
[9]   SHAKE-UP SATELLITE STRUCTURE IN X-RAY PHOTOELECTRON-SPECTRA (ESCA) OF METAL HEXACARBONYLS [J].
BANCROFT, GM ;
BOYD, BD ;
CREBER, DK .
INORGANIC CHEMISTRY, 1978, 17 (04) :1008-1013
[10]   SELF-CONSISTENT-FIELD STUDY OF SERIES XEF2, XEF4, XEF6 [J].
BASCH, H ;
MOSKOWIT.JW ;
HOLLISTE.C ;
HANKIN, D .
JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (04) :1922-&