Molecular orbital energy levels in square-pyramidal Co(CN) 3−5 ion

An SCCC molecular orbital calculation was performed for low spin square-pyramidal Co(CN) 3− 5. The results show that the ordering of the d levels xy< xz, yz< z 2 ⪡ x 2- y 2, which is in unexpected from the point of view of crystal field theory, is due to the fact that the metal lies above the...

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Bibliographic Details
Published inChemical physics letters Vol. 14; no. 2; pp. 239 - 241
Main Authors Guenzburger, D., Caride, A.O., Zuleta, E.
Format Journal Article
LanguageEnglish
Published Elsevier B.V 01.01.1972
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Summary:An SCCC molecular orbital calculation was performed for low spin square-pyramidal Co(CN) 3− 5. The results show that the ordering of the d levels xy< xz, yz< z 2 ⪡ x 2- y 2, which is in unexpected from the point of view of crystal field theory, is due to the fact that the metal lies above the equatorial plane of the ligands.
ISSN:0009-2614
1873-4448
DOI:10.1016/0009-2614(72)87188-4