A theoretical and experimental study of the electronic structure of PF3O and the ligand properties of PF3

被引：51

作者：

Bassett, P. J. ^{[1
]}

Lloyd, D. R. ^{[1
]}

Hillier, I. H. ^{[2
]}

Saunders, Y. R. ^{[2
]}

机构：

[1] Univ Birmingham, Dept Chem, Birmingham 15, W Midlands, England

[2] Univ Manchester, Dept Chem, Manchester M13 9FL, Lancs, England

来源：

CHEMICAL PHYSICS LETTERS | 1970年 / 6卷 / 04期

关键词：

D O I：

10.1016/0009-2614(70)85066-7

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：

The electron donor and acceptor properties of PF3 are investigated theoretically by ab initio SCF MO calculations of PF3O. The results are used to discuss the photoelectron spectra of PF3 and PF3O, reported here, and the change in ligand geometry on co-ordination.

引用

页码：253 / 254

页数：2

共 10 条

[1] ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS [J].

CLEMENTI, E ;

RAIMONDI, DL .

JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) :2686-&

[2] AN APPROACH TO SEPARATION OF INDUCTIVE AND MESOMERIC EFFECTS IN COMPLEXES OF TYPES LMN(CO)5 AND LMO(CO)5 [J].

GRAHAM, WAG .

INORGANIC CHEMISTRY, 1968, 7 (02) :315-&

[3]

HEHRE WJ, 1968, S FARADAY SOC, V2, P15

[4]

HILLIER IH, UNPUB

[5]

HILLIER IH, 1970, CHEM COMMUN, P316

[6]

HILLIER IH, 1970, INT J QUANTUM CHEM, V4, P203

[7]

LLOYD DJ, UNPUB

[8]

MARINO Y, 1969, INORG CHEM, V8, P867

[9] SMALL GAUSSIAN EXPANSIONS OF ATOMIC ORBITALS [J].

STEWART, RF .

JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (06) :2485-&

[10] MICROWAVE SPECTRA AND MOLECULAR STRUCTURES OF POF3, PSF3, POCL3, ANDPSCL3 [J].

WILLIAMS, Q ;

SHERIDAN, J ;

GORDY, W .

JOURNAL OF CHEMICAL PHYSICS, 1952, 20 (01) :164-167

← 1 →