Cp2ZrCH(SiMe3)CCCH(SiMe3): A Five-Membered 1-Zirconacyclopent-3-yne?
Publication type: Journal Article
Publication date: 2003-07-19
scimago Q2
wos Q1
SJR: 0.676
CiteScore: 5.1
Impact factor: 2.9
ISSN: 02767333, 15206041
Organic Chemistry
Inorganic Chemistry
Physical and Theoretical Chemistry
Abstract
Density functional theory calculations at the B3LYP level were performed to study the electronic structure of a recently synthesized zirconocene complex, (R = SiMe3). Through detailed bonding analyses and stability studies, we conclude that the originally proposed metallacyclopentyne form cannot adequately describe the complex. Instead, a resonance hybrid between a cumulene complex form and a metallacyclopentyne Lewis structure is required to account for the structure and stability of the complex.
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Total citations:
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Lam K. C., Lin Z. Cp2ZrCH(SiMe3)CCCH(SiMe3): A Five-Membered 1-Zirconacyclopent-3-yne? // Organometallics. 2003. Vol. 22. No. 17. pp. 3466-3470.
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Lam K. C., Lin Z. Cp2ZrCH(SiMe3)CCCH(SiMe3): A Five-Membered 1-Zirconacyclopent-3-yne? // Organometallics. 2003. Vol. 22. No. 17. pp. 3466-3470.
Cite this
RIS
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TY - JOUR
DO - 10.1021/om0302950
UR - https://doi.org/10.1021/om0302950
TI - Cp2ZrCH(SiMe3)CCCH(SiMe3): A Five-Membered 1-Zirconacyclopent-3-yne?
T2 - Organometallics
AU - Lam, King Chung
AU - Lin, Zhenyang
PY - 2003
DA - 2003/07/19
PB - American Chemical Society (ACS)
SP - 3466-3470
IS - 17
VL - 22
SN - 0276-7333
SN - 1520-6041
ER -
Cite this
BibTex (up to 50 authors)
Copy
@article{2003_Lam,
author = {King Chung Lam and Zhenyang Lin},
title = {Cp2ZrCH(SiMe3)CCCH(SiMe3): A Five-Membered 1-Zirconacyclopent-3-yne?},
journal = {Organometallics},
year = {2003},
volume = {22},
publisher = {American Chemical Society (ACS)},
month = {jul},
url = {https://doi.org/10.1021/om0302950},
number = {17},
pages = {3466--3470},
doi = {10.1021/om0302950}
}
Cite this
MLA
Copy
Lam, King Chung, and Zhenyang Lin. “Cp2ZrCH(SiMe3)CCCH(SiMe3): A Five-Membered 1-Zirconacyclopent-3-yne?.” Organometallics, vol. 22, no. 17, Jul. 2003, pp. 3466-3470. https://doi.org/10.1021/om0302950.