SITE DETERMINATION OF OXYGEN IN B6O BY OXYGEN K-ALPHA X-RAY-EMISSION SPECTROSCOPY

被引:28
作者
KAWAI, J
MAEDA, K
HIGASHI, I
TAKAMI, M
HAYASI, Y
UDA, M
机构
[1] TOHOKU UNIV,DEPT APPL PHYS,SENDAI,MIYAGI 980,JAPAN
[2] WASEDA UNIV,SCH SCI & ENGN,DEPT MAT SCI & ENGN,SHINJUKU KU,TOKYO 169,JAPAN
来源
PHYSICAL REVIEW B | 1990年 / 42卷 / 09期
关键词
D O I
10.1103/PhysRevB.42.5693
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
An electron-excited x-ray-emission spectrum of oxygen K is presented for boron suboxide B6O (isostructural with B13C2). The spectrum is compared with those calculated by the discrete-variation X (DV-X) method with various O-O distances as an adjustable parameter in the fixed icosahedral B12 framework. The observed spectrum is reproduced well when the O-O distance is in the range 2.5 3.5. This O-O bond length is more than twice as long as that of a free O2 molecule. The oxygen atom is located very close to the center of the boron triangle (closed three-center bond). These results support the structure determined by x-ray structural analysis. © 1990 The American Physical Society.
引用
收藏
页码:5693 / 5701
页数:9
相关论文
共 52 条
[1]   THEORY OF X-RAY SATELLITES [J].
ABERG, T .
PHYSICAL REVIEW, 1967, 156 (01) :35-&
[2]   THE STEREOCHEMISTRY OF SUB-GROUP-VIB OF THE PERIODIC TABLE [J].
ABRAHAMS, SC .
QUARTERLY REVIEWS, 1956, 10 (04) :407-436
[3]   X-RAY-EMISSION OF THE NITROGEN MOLECULE FOLLOWING PHOTON OR ELECTRON-IMPACT - A THEORETICAL-STUDY USING CONFIGURATION-INTERACTION WAVEFUNCTIONS [J].
AGREN, H ;
ARNEBERG, R ;
MULLER, J ;
MANNE, R .
CHEMICAL PHYSICS, 1984, 83 (1-2) :53-67
[4]   X-RAY-SPECTRA AND CORE HOLE ENERGY CURVES OF SOME DIATOMIC-MOLECULES [J].
AGREN, H ;
SELANDER, L ;
NORDGREN, J ;
NORDLING, C ;
SIEGBAHN, K ;
MULLER, J .
CHEMICAL PHYSICS, 1979, 37 (02) :161-171
[5]   ABINITIO HARTREE-FOCK CALCULATIONS OF MOLECULAR X-RAY-INTENSITIES - VALIDITY OF ONE-CENTER APPROXIMATIONS [J].
AGREN, H ;
NORDGREN, J .
THEORETICA CHIMICA ACTA, 1981, 58 (02) :111-119
[6]   LOCALIZED AND DELOCALIZED 1S HOLE STATES OF O2+ MOLECULAR ION [J].
BAGUS, PS ;
SCHAEFER, HF .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (01) :224-&
[7]   THE CRYSTAL STRUCTURE OF BORON OXIDE [J].
BERGER, SV .
ACTA CHEMICA SCANDINAVICA, 1953, 7 (04) :611-622
[8]  
BLAKE RL, 1970, ADV XRAY ANAL, V13, P352
[9]   HOT-PRESSING OF BORON SUBOXIDE B12O2 [J].
BRODHAG, C ;
THEVENOT, F .
JOURNAL OF THE LESS-COMMON METALS, 1986, 117 (1-2) :1-6
[10]  
EMIN D, 1986, AIP C P, V140