CAN AUF BE SYNTHESIZED - A THEORETICAL-STUDY USING RELATIVISTIC CONFIGURATION-INTERACTION AND PLASMA MODELING TECHNIQUES

被引：51

作者：

SCHWERDTFEGER, P

MCFEATERS, JS

STEPHENS, RL

LIDDELL, MJ

DOLG, M

HESS, BA

机构：

[1] UNIV STUTTGART,INST THEORET CHEM,W-7000 STUTTGART 61,GERMANY

[2] UNIV AUCKLAND,SCH ENGN,AUCKLAND,NEW ZEALAND

[3] UNIV BONN,INST PHYS & THEORET CHEM,W-5300 BONN 1,GERMANY

来源：

CHEMICAL PHYSICS LETTERS | 1994年 / 218卷 / 04期

关键词：

D O I：

10.1016/0009-2614(94)00004-2

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Theoretical studies using spin-orbit averaged relativistic configuration interaction and plasma modeling techniques indicate AuF to be a stable gas-phase compound and the dominant gas-phase species in the reaction of gold with O2 and CF4 between 1000 and 2700 K. Accurate spectroscopic properties are predicted and a synthesis for AuF is proposed.

引用

页码：362 / 366

页数：5

共 41 条

[1] INDIVIDUALIZED CONFIGURATION SELECTION IN CI CALCULATIONS WITH SUBSEQUENT ENERGY EXTRAPOLATION
BUENKER, RJ
PEYERIMH.SD
[J]. THEORETICA CHIMICA ACTA, 1974, 35 (01): : 33 - 58
[2] ENERGY EXTRAPOLATION IN CI CALCULATIONS
BUENKER, RJ
PEYERIMHOFF, SD
[J]. THEORETICA CHIMICA ACTA, 1975, 39 (03): : 217 - 228
[3] APPLICABILITY OF MULTI-REFERENCE DOUBLE-EXCITATION CI (MRD-CI) METHOD TO CALCULATION OF ELECTRONIC WAVEFUNCTIONS AND COMPARISON WITH RELATED TECHNIQUES
BUENKER, RJ
PEYERIMHOFF, SD
BUTSCHER, W
[J]. MOLECULAR PHYSICS, 1978, 35 (03) : 771 - 791
[4] BUENKER RJ, 1980, CURRENT ASPECTS QUAN
[5] BUENKER RJ, 1985, J MOL STRUC-THEOCHEM, V123, P291
[6] Dasent W. E., 1965, NONEXISTENT COMPOUND
[7] QUANTUM ELECTRODYNAMICAL CORRECTIONS TO FINE-STRUCTURE OF HELIUM
DOUGLAS, M
KROLL, NM
[J]. ANNALS OF PHYSICS, 1974, 82 (01) : 89 - 155
[8] Frisch M. J, 1992, GAUSSIAN 92
[9] GOLE JL, 1986, METAL CLUSTERS
[10] APPLICABILITY OF THE NO-PAIR EQUATION WITH FREE-PARTICLE PROJECTION OPERATORS TO ATOMIC AND MOLECULAR-STRUCTURE CALCULATIONS
HESS, BA
[J]. PHYSICAL REVIEW A, 1985, 32 (02): : 756 - 763

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