DOI: 10.1021/ja016826y. Low-Temperature Hydrogenation of Triplet Carbenes and Diradicaloid BiscarbenesElectronic State Selectivity

Low-Temperature Hydrogenation of Triplet Carbenes and Diradicaloid BiscarbenesElectronic State Selectivity

10.1021/ja016826y

Crossref journal-article

American Chemical Society (ACS)

Journal of the American Chemical Society (316)

Bibliography

Zuev, P. S., & Sheridan, R. S. (2001). Low-Temperature Hydrogenation of Triplet Carbenes and Diradicaloid BiscarbenesElectronic State Selectivity. Journal of the American Chemical Society, 123(49), 12434â12435.

Authors 2

Peter S. Zuev (first)
Robert S. Sheridan (additional)

References 25 Referenced 37

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10.1002/1521-3765(20001215)6:24<4567::AID-CHEM4567>3.0.CO;2-A / Chem. Eur. J. by Sander W. (2000)
10.1002/1099-1395(200010)13:10<561::AID-POC239>3.0.CO;2-U / J. Phys. Org. Chem. by Sander W. (2000)
10.1021/ja00062a060 / J. Am. Chem. Soc. by Zuev P. (1993)
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10.1021/ja9824324 / J. Am. Chem. Soc. by Subhan W. (1998)
{'key': 'ja016826yb00010/ja016826yb00010_1', 'first-page': '2257', 'author': 'For', 'year': '1999', 'journal-title': 'J. Chem. Soc., Perkin Trans. 2'} / J. Chem. Soc., Perkin Trans. 2 by For (1999)
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{'key': 'ja016826yb00020/ja016826yb00020_1', 'volume-title': 'Revision A.7', 'author': 'Frisch M. J.', 'year': '1998'} / Revision A.7 by Frisch M. J. (1998)
10.1021/jo001745q / J. Org. Chem. by Freeman P. K. (2001)
Theory predicts minimal coupling between the localized radical centers in2.7b,9Confirming this point, we found that broken spin symmetry UB3LYP calculations22,24on singlet2(or more correctly, mixed singlet/triplet) predicted ca. the same activation barrier for H-abstraction as for triplet. Interestingly, we found two different electronic configurations for radical3, a lower energy A‘ σ radical, presumably formed by H-abstraction, and an A‘ ‘ π radical/carbene, ca. 7 kcal/mol higher in energy.
10.1002/9780470125908.ch1 / Rev. Comput. Chem. by Bally T. (1999)
10.1007/978-1-4899-3707-0 / Kinetics and Spectroscopy of Carbenes and Biradicals by Platz M. (1990)

Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 12:37 a.m.)
Deposited	1 year, 8 months ago (Jan. 2, 2024, 1:16 p.m.)
Indexed	3 days, 2 hours ago (Sept. 3, 2025, 6:55 a.m.)
Issued	23 years, 9 months ago (Nov. 16, 2001)
Published	23 years, 9 months ago (Nov. 16, 2001)
Published Online	23 years, 9 months ago (Nov. 16, 2001)
Published Print	23 years, 9 months ago (Dec. 1, 2001)

Funders 0

None

BibTeX

@article{Zuev_2001, title={Low-Temperature Hydrogenation of Triplet Carbenes and Diradicaloid BiscarbenesElectronic State Selectivity}, volume={123}, ISSN={1520-5126}, url={http://dx.doi.org/10.1021/ja016826y}, DOI={10.1021/ja016826y}, number={49}, journal={Journal of the American Chemical Society}, publisher={American Chemical Society (ACS)}, author={Zuev, Peter S. and Sheridan, Robert S.}, year={2001}, month=nov, pages={12434–12435} }

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