Browsing by Author "Borden, W. T."
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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
Nicolaïdes, Andrew N.; Borden, W. T. (1992)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 ...
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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
Nicolaïdes, Andrew N.; Borden, W. T. (1991)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 ...
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CI Calculations on Didehydrobenzenes Predict Heats of Formation for the Meta and Para Isomers That Are Substantially Higher than Previous Experimental Values
Nicolaïdes, Andrew N.; Borden, W. T. (1993)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. ...
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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
Theophanous, F. A.; Tasiopoulos, Anastasios J.; Nicolaïdes, Andrew N.; Zhou, X.; Johnson, W. T. G.; Borden, W. T. (2006)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 ...
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Synthesis and Study of the (Ph3P)2Pt Complexes of Three Members of a Series of Highly Pyramidalized Alkenes
Nicolaïdes, Andrew N.; Smith, J. M.; Kumar, A.; Barnhart, D. M.; Borden, W. T. (1995)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 ...