volume 26 issue 12 pages 2864-2870

Reduction-induced o-C-H bond activation of pyridine with decamethylzirconocene dichloride

Publication typeJournal Article
Publication date2007-07-01
scimago Q3
wos Q2
SJR0.396
CiteScore4.9
Impact factor2.6
ISSN02775387, 18733719
Materials Chemistry
Inorganic Chemistry
Physical and Theoretical Chemistry
Abstract
Abstract Treatment of decamethylzirconocene dichloride (η5-Cp∗)2ZrCl2 with amalgamated magnesium in pyridine results in formation of the o-C–H bond activation product [η5-C5Me5]2ZrH[η2-κC,N-C5H4N] (1). X-ray diffraction analysis (solid state) and NMR spectroscopy data (solutions) reveal the lateral positioning of the nitrogen atom in 1. At elevated temperatures, complex 1 smoothly rearranges into its isomer 2 with medial positioning of the N-atom. The parameters of equilibrium between 1 and 2 were measured at different temperatures. A reaction of 1 or a mixture of 1 and 2 (ca. 1:10) with CDCl3 smoothly and under mild conditions leads to one and the same η2-pyridyl chloride complex [η5-C5Me5]2ZrCl[η2-κC,N-C5H4N] (3) with medial positioning of the N-atom. The thermodynamic and mechanistic concepts of the paper are discussed with application of the DFT computational data.
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Krut’ko D. P. et al. Reduction-induced o-C-H bond activation of pyridine with decamethylzirconocene dichloride // Polyhedron. 2007. Vol. 26. No. 12. pp. 2864-2870.
GOST all authors (up to 50) Copy
Krut’ko D. P., Kirsanov R. S., Belov S. A., Borzov M. V., Churakov A. V., Howard J. A. Reduction-induced o-C-H bond activation of pyridine with decamethylzirconocene dichloride // Polyhedron. 2007. Vol. 26. No. 12. pp. 2864-2870.
RIS |
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RIS Copy
TY - JOUR
DO - 10.1016/j.poly.2007.01.036
UR - https://linkinghub.elsevier.com/retrieve/pii/S0277538707000708
TI - Reduction-induced o-C-H bond activation of pyridine with decamethylzirconocene dichloride
T2 - Polyhedron
AU - Krut’ko, Dmitrii P.
AU - Kirsanov, Roman S.
AU - Belov, Sergey A
AU - Borzov, Maxim V.
AU - Churakov, Andrei V.
AU - Howard, Judith A.
PY - 2007
DA - 2007/07/01
PB - Elsevier
SP - 2864-2870
IS - 12
VL - 26
SN - 0277-5387
SN - 1873-3719
ER -
BibTex |
Cite this
BibTex (up to 50 authors) Copy
@article{2007_Krut’ko,
author = {Dmitrii P. Krut’ko and Roman S. Kirsanov and Sergey A Belov and Maxim V. Borzov and Andrei V. Churakov and Judith A. Howard},
title = {Reduction-induced o-C-H bond activation of pyridine with decamethylzirconocene dichloride},
journal = {Polyhedron},
year = {2007},
volume = {26},
publisher = {Elsevier},
month = {jul},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0277538707000708},
number = {12},
pages = {2864--2870},
doi = {10.1016/j.poly.2007.01.036}
}
MLA
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MLA Copy
Krut’ko, Dmitrii P., et al. “Reduction-induced o-C-H bond activation of pyridine with decamethylzirconocene dichloride.” Polyhedron, vol. 26, no. 12, Jul. 2007, pp. 2864-2870. https://linkinghub.elsevier.com/retrieve/pii/S0277538707000708.