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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| Published in | Chemical physics letters Vol. 14; no. 2; pp. 239 - 241 |
|---|---|
| Main Authors | , , |
| Format | Journal Article |
| Language | English |
| Published |
Elsevier B.V
01.01.1972
|
| Online Access | Get full text |
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| Abstract | 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. |
|---|---|
| AbstractList | 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. |
| Author | Zuleta, E. Guenzburger, D. Caride, A.O. |
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| CitedBy_id | crossref_primary_10_1016_0301_0104_92_87147_2 crossref_primary_10_1002_qua_560540607 crossref_primary_10_1002__SICI_1097_461X_1996_57_3_471__AID_QUA21_3_0_CO_2_5 crossref_primary_10_1021_jacs_4c02077 crossref_primary_10_1063_1_1681998 crossref_primary_10_1080_00958977308072983 |
| Cites_doi | 10.1021/ja01018a013 10.1016/S0010-8545(00)80191-5 10.1063/1.1726431 10.1021/ja00728a013 10.1063/1.1733765 10.1021/ja01093a011 10.1021/ic50065a022 10.1147/rd.91.0002 10.1063/1.1676643 10.1063/1.1732631 |
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| Copyright | 1972 |
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| EndPage | 241 |
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| References | Clementi (BIB7) 1965; 9 Alexander, Gray, Alexander, Gray (BIB4) 1967; 2 Basch, Viste, Gray (BIB8) 1966; 44 Richardson, Nieuwpoort, Powell, Edgell, Richardson, Powell, Nieuwpoort (BIB6) 1962; 36 Caride, Panepucci, Zanette (BIB2) 1971; 55 Ballhausen, Gray (BIB3) 1964 Preer, Gray (BIB1) 1970; 92 Mancharan, Gray (BIB5) 1965; 87 Raymond, Corfield, Ibers (BIB9) 1968; 7 Clementi (10.1016/0009-2614(72)87188-4_BIB7) 1965; 9 Caride (10.1016/0009-2614(72)87188-4_BIB2) 1971; 55 Mancharan (10.1016/0009-2614(72)87188-4_BIB5) 1965; 87 Raymond (10.1016/0009-2614(72)87188-4_BIB9) 1968; 7 Basch (10.1016/0009-2614(72)87188-4_BIB8) 1966; 44 Richardson (10.1016/0009-2614(72)87188-4_BIB6A) 1962; 36 Preer (10.1016/0009-2614(72)87188-4_BIB1) 1970; 92 Ballhausen (10.1016/0009-2614(72)87188-4_BIB3) 1964 Richardson (10.1016/0009-2614(72)87188-4_BIB6B) 1963; 38 Alexander (10.1016/0009-2614(72)87188-4_BIB4A) 1967; 2 Alexander (10.1016/0009-2614(72)87188-4_BIB4B) 1968; 90 |
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| Snippet | 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... |
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| StartPage | 239 |
| Title | Molecular orbital energy levels in square-pyramidal Co(CN) 3−5 ion |
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