Density Functional Theory Study of Fe(CO)3(η2-C3H6), HFe(CO)3(η3-C3H5), and the Iron−Allyl Bond Energy-Reference-Cited by-同舟云学术

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Density Functional Theory Study of Fe(CO)3(η2-C3H6), HFe(CO)3(η3-C3H5), and the Iron−Allyl Bond Energy

Published:2003-05-22 Issue:13 Volume:22 Page:2652-2659
ISSN:0276-7333
Container-title:Organometallics
language:en
Short-container-title:Organometallics

Author:

Cedeño David L.¹,Weitz Eric²

Affiliation:

1. Department of Chemistry, Illinois State University, Normal, Illinois 61790

2. Department of Chemistry, Northwestern University, Evanston, Illinois 60208

Publisher

American Chemical Society (ACS)

Subject

Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/om020920l

Reference81 articles.

1. Crabtree, R. H.The Organometallic Chemistry of the TransitionMetals; Wiley: New York, 1994; p 107.

2. Parshall, G. W.; Ittel, S. D.Homogeneous Catalysis; Wiley: New York, 1992.

3. Pruchnick, F. P.Organometallic Chemistry of the Transition Elements; Plenum Press: New York, 1990; p 343.

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1. Visible-Light-Enhanced Cobalt-Catalyzed Hydrogenation: Switchable Catalysis Enabled by Divergence between Thermal and Photochemical Pathways;ACS Catalysis;2021-01-13

2. Substituent effects on gas-phase homolytic Fe-N bond energies of m -G-C6 H4 NHFe(CO)2 (η5 -C5 H5 ) and m -G-C6 H4 N(COMe)Fe(CO)2 (η5 -C5 H5 ) studied using density functional theory methods;Journal of Physical Organic Chemistry;2017-11-05

3. Density functional theory study of substituent effects on gas-phase heterolytic Fe-O and Fe-S bond energies ofm-G-C6H4OFe(CO)2(η5-C5H5) andm-G-C6H4SFe(CO)2(η5-C5H5);Journal of Physical Organic Chemistry;2016-06-23

4. Substituent effects on gas-phase homolytic Fe-O and Fe-S bond energies of m -G-C6 H4 OFe(CO)2 (η5 -C5 H5 ) and m -G-C6 H4 SFe(CO)2 (η5 -C5 H5 ) studied using Hartree-Fock and density functional theory methods;Journal of Physical Organic Chemistry;2015-12-01

5. Hartree-Fock and density functional theory study of remote substituent effects on gas-phase heterolytic Fe-O and Fe-S bond energies of p -G-C6 H4 OFe(CO)2 (η 5 -C5 H5 ) and p -G-C6 H4 SFe(CO)2 (η 5 -C5 H5 );Journal of Physical Organic Chemistry;2013-12-10

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