Zobrazeno 1 - 10
of 48
pro vyhledávání: '"and William L. Karney"'
Publikováno v:
Molecules, Vol 25, Iss 3, p 543 (2020)
To enhance the versatility of organic azides in organic synthesis, a better understanding of their photochemistry is required. Herein, the photoreactivity of azidoisoxazole 1 was characterized in cryogenic matrices with IR and UV-Vis absorption spect
Externí odkaz:
https://doaj.org/article/22bb249cbc924899a34ed50bece699f7
Autor:
Onyinye Osisioma, Leanna J. Patton, Rajkumar Merugu, Dmitrii Govorov, Margaret A. Milbrandt, Cassandra Jarus, William L. Karney, Anna D. Gudmundsdottir
Publikováno v:
Photochemistry and photobiologyREFERENCES.
Triplet arylnitrenes may provide direct access to aryl azo-dimers, which have broad commercial applicability. Herein, the photolysis of p-azidostilbene (1) in argon-saturated methanol yielded stilbene azo-dimer (2) through the dimerization of triplet
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0651f88c0ce6615ca785ab072d649e14
https://pubmed.ncbi.nlm.nih.gov/35652751
https://pubmed.ncbi.nlm.nih.gov/35652751
Autor:
Kosala R. S. Thenna-Hewa, William Sebastien, Anna D. Gudmundsdottir, William L. Karney, Elaine M. Lemen, Manabu Abe
Publikováno v:
Photochemistry and photobiologyREFERENCES. 97(6)
Although alkyl azides are known to typically form imines under direct irradiation, the product formation mechanism remains ambiguous as some alkyl azides also yield the corresponding triplet alkylnitrenes at cryogenic temperatures. The photoreactivit
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ec8c387681c5b6f8c9e6b68b28b36dec
https://pubmed.ncbi.nlm.nih.gov/34346085
https://pubmed.ncbi.nlm.nih.gov/34346085
Publikováno v:
Organic Letters. 21:8587-8591
The contribution of heavy-atom tunneling to reactions of [12]- and [16]annulene was probed using small-curvature tunneling rate calculations. At the CCSD(T)/cc-pVDZ//M06-2X/cc-pVDZ level, tunneling is predicted to account for more than 50% of the rat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6b355d935e2154d0fd8a975b279f1937
https://doi.org/10.1021/acs.orglett.9b03185
https://doi.org/10.1021/acs.orglett.9b03185
Autor:
Jonathan Z. Shezaf, Philip P. Lampkin, Joseph F. Moll, Cameron S. Michel, Claire Castro, William L. Karney
Publikováno v:
Journal of the American Chemical Society. 141:5286-5293
Midsized annulenes are known to undergo rapid π-bond shifting. Given that heavy-atom tunneling plays a role in planar bond shifting of cyclobutadiene, we computationally explored the contribution of heavy-atom tunneling to planar π-bond shifting in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f4d5fa23460d6c9c53a3533dbaba53e2
https://doi.org/10.1021/jacs.8b13131
https://doi.org/10.1021/jacs.8b13131
Publikováno v:
The Journal of Organic Chemistry. 83:314-322
Density functional and coupled cluster results are presented for hydrogen shifts in radicals derived from polycyclic aromatic hydrocarbons (PAHs) and for rearrangement mechanisms for several phenylenes. RCCSD(T)/cc-pVDZ//UBLYP/cc-pVDZ free energy bar
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::57efeeaa336b47e03c3b9e4b3cb56e9e
https://doi.org/10.1021/acs.joc.7b02724
https://doi.org/10.1021/acs.joc.7b02724
Autor:
William L. Karney, Claire Castro
Publikováno v:
Angewandte Chemie (International ed. in English). 59(22)
In the past few years, numerous investigations have been reported on the role of heavy-atom tunneling in the area of pericyclic reactions, π-bond-shifting, and other processes. These studies illustrate unique strategies for the experimental detectio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::108bda0aa82f21c0de5881f2d5e70b9f
https://pubmed.ncbi.nlm.nih.gov/31944500
https://pubmed.ncbi.nlm.nih.gov/31944500
Publikováno v:
The Journal of organic chemistry. 84(14)
The photoreactivity of cyclic vinyl azides 1 (3-azido-2-methyl-cyclopenten-1-one) and 2 (3-azido-2-methyl-2-cyclohexen-1-one), which have five- and six-membered rings, respectively, was characteriz...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6f47847b0750429bf6c4892f8158187e
https://pubmed.ncbi.nlm.nih.gov/31262179
https://pubmed.ncbi.nlm.nih.gov/31262179
Publikováno v:
The Journal of Organic Chemistry. 80:11718-11725
Carbene, cyclobutyl, and potential diradical mechanisms were studied computationally for Stone-Wales rearrangements in several derivatives of as-indacene and pyracyclene, including cyclopent[hi]acephenanthrylene, dicyclopenta[cd,fg]pyrene, corannulen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ef3cf807511557cd4140364b0c42b470
https://doi.org/10.1021/acs.joc.5b01274
https://doi.org/10.1021/acs.joc.5b01274
Publikováno v:
The Journal of Organic Chemistry. 80:3825-3831
Mechanisms for Stone-Wales rearrangements (SWRs) in polycyclic unsaturated hydrocarbons containing a pentafulvalene core have been studied using density functional, coupled cluster, and multiconfigurational methods. At the BD(T)/cc-pVDZ//(U)M06-2X/cc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::53b5d7fbb599b4603b21112f262f554d
https://doi.org/10.1021/acs.joc.5b00066
https://doi.org/10.1021/acs.joc.5b00066