volume 24 pages 35-38

Molecular orbital calculations on transition metal complexes. Part XVI. The mixed sandwich complex π-cyclopentadienyl-π-cyclooctatetraenyltitanium

Publication typeJournal Article
Publication date1977-01-01
scimago Q3
wos Q2
SJR0.393
CiteScore5.5
Impact factor3.2
ISSN00201693, 18733255
Materials Chemistry
Inorganic Chemistry
Physical and Theoretical Chemistry
Abstract
INDO SCF molecular orbital calculations have been carried out for the title complex. The results confirm the 2 A 1 ground state indicated by esr measurements, showing the unpaired electron to reside in a dominantly metald z 2 orbital, whilst the next filled level is derived mainly from a π-ligand e 2 orbital, to which the eight-membered ring makes the major contribution. The mainly metal d levels are found to follow the ordering a 1
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Clack D. W., Warren K. D. Molecular orbital calculations on transition metal complexes. Part XVI. The mixed sandwich complex π-cyclopentadienyl-π-cyclooctatetraenyltitanium // Inorganica Chimica Acta. 1977. Vol. 24. pp. 35-38.
GOST all authors (up to 50) Copy
Clack D. W., Warren K. D. Molecular orbital calculations on transition metal complexes. Part XVI. The mixed sandwich complex π-cyclopentadienyl-π-cyclooctatetraenyltitanium // Inorganica Chimica Acta. 1977. Vol. 24. pp. 35-38.
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RIS Copy
TY - JOUR
DO - 10.1016/S0020-1693(00)93847-7
UR - https://doi.org/10.1016/S0020-1693(00)93847-7
TI - Molecular orbital calculations on transition metal complexes. Part XVI. The mixed sandwich complex π-cyclopentadienyl-π-cyclooctatetraenyltitanium
T2 - Inorganica Chimica Acta
AU - Clack, D W
AU - Warren, K D
PY - 1977
DA - 1977/01/01
PB - Elsevier
SP - 35-38
VL - 24
SN - 0020-1693
SN - 1873-3255
ER -
BibTex
Cite this
BibTex (up to 50 authors) Copy
@article{1977_Clack,
author = {D W Clack and K D Warren},
title = {Molecular orbital calculations on transition metal complexes. Part XVI. The mixed sandwich complex π-cyclopentadienyl-π-cyclooctatetraenyltitanium},
journal = {Inorganica Chimica Acta},
year = {1977},
volume = {24},
publisher = {Elsevier},
month = {jan},
url = {https://doi.org/10.1016/S0020-1693(00)93847-7},
pages = {35--38},
doi = {10.1016/S0020-1693(00)93847-7}
}