Výsledky vyhledávání - "Borden, W. T."

CI calculations on didehydrobenzenes predict heats of formation for the meta and para isomers that are substantially higher than previous experimental values

Autor: Nicolaïdes, Andrew N., Borden, W. T.

Publikováno v: Journal of the American Chemical Society
J.Am.Chem.Soc.

CI calculations with the 6-3110** basis set on o-didehydrobenzene (1) predict a singlet-triplet energy difference of 34.4 kcal/mol, which is about 3 kcal/mol smaller than the value measured by Leopold, Miller, and Lineberger. Calculations at this lev

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::505d7e178d1e798fcad171eed074a575
https://doi.org/10.1021/ja00078a037

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Ab initio calculations of the barriers to rotation in 1,1-difluoroallyl radical and an analysis of the factors that govern rotational barriers in fluorinated allylic radicals

Autor: Nicolaïdes, Andrew N., Borden, W. T.

Publikováno v: Journal of the American Chemical Society
J.Am.Chem.Soc.

The energies required to rotate the CF2 and the CH2 group out of conjugation in 1,1-difluoroallyl radical have been calculated at the SD-CI/6–31G*//UHF/6–31G* level of theory. In agreement with experiment, the barrier to CF2 group rotation in thi

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8446e2785b96ac77e6031d51a3d1b45f
https://doi.org/10.1021/ja00048a048

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Evidence for the formation of the (Ph3P)2Pt complex of 3,7-dimethyltricyclo[3.3.0.03,7]oct-1(5)-ene, the most highly pyramidalized alkene in a homologous series. Isolation and X-ray structure of the product of the ethanol addition to the complex

Autor: Theophanous, F. A., Tasiopoulos, Anastasios J., Nicolaïdes, Andrew N., Zhou, X., Johnson, W. T. G., Borden, W. T.

Publikováno v: Organic letters
Org.Lett.

Attempts to isolate the (Ph3P)2R complex of the highly pyramidalized olefin 3,7-dimethyltricyclo[3.3.0.03,7]oct-1(5)- ene 2 by generation of 2 in the presence of (Ph3P)2RC 2H4, followed by crystallization of the complex (2-Pt) from THF-ethanol, resul

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od______4485::1fb7a3b9aa249c4e19f8512943ba9b0f
http://gnosis.library.ucy.ac.cy/handle/7/56237

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Synthesis and Study of the (Ph3P)2Pt Complexes of Three Members of a Series of Highly Pyramidalized Alkenes

Autor: Nicolaïdes, Andrew N., Smith, J. M., Kumar, A., Barnhart, D. M., Borden, W. T.

Publikováno v: Organometallics

The (Ph3P)2Pt complexes (3) of three members of a homologous series of tricyclo[3.3.n.03,7]alk-3(7)-enes (2a-c) have been prepared by allowing these highly pyramidalized alkenes to displace ethylene from (Ph3P)2PtC2H4. The X-ray crystal structures of

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ba9a0e9328c2e673174ca3738bd45eab
http://gnosis.library.ucy.ac.cy/handle/7/55910

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Ab Initio Calculations of the Relative Strengths of the π Bonds in Acetylene and Ethylene and of Their Effect on the Relative Energies of π-Bond Addition Reactions

Autor: Nicolaïdes, Andrew N., Borden, W. T.

Publikováno v: Journal of the American Chemical Society
J.Am.Chem.Soc.

Energies at the CI-SD/6-31G* level have been calculated for acetylene, ethylene, ethane, and the vinyl and ethyl anions, radicals, and cations (classical and hydrogen-bridged). From these energies, the differences between the π-bond energies in acet

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e2778d3a0ae209cb4bcc55bf564c8ecf
http://gnosis.library.ucy.ac.cy/handle/7/55897

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