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Oscillator Strength Calculation of1A1–1T2(t1–2e) Transition of Chromate and Permanganate Ions

 

作者: S.P. Tandon,   S.S. L. Surana,   K. Tandon,  

 

期刊: Spectroscopy Letters  (Taylor Available online 1969)
卷期: Volume 2, issue 10  

页码: 295-299

 

ISSN:0038-7010

 

年代: 1969

 

DOI:10.1080/00387016908050212

 

出版商: Taylor & Francis Group

 

关键词: Oscillator strength;Linear Combination of Atomic Orbitals-Molecular Orbitals (LCAO-MO)

 

数据来源: Taylor

 

摘要:

The oscillator strength, f, of the1A1–1T2(t1–2e) transition of both chromate and permanganate ions have been calculated by LCAO-MO method using Slater type orbitals1(STO's) and by crystal field approach2. These computed values do not agree with the observed ones3. A detailed study of dipole moment of permanganate ion reveals4that STO's do not represent true state of affairs and more exact atomic orbitals must be used. The double-ζ 3d AO's with radial functions of the formwherederived by Richardson and hi8 coworkers5duplicate verg nearly the SCF AO's determined by Watson6, which are quite exact. ALCAO-MO paremetric calculation In terms of single parameter, β, the ligand mixing coefficient using Richardson's orbitals and both dipole velocity and dipole length operators has been reported in the present paper.

 

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