Scott E. McKay

Biofuel: An alternative to fossil fuel for alleviating world energy and economic crises

The time has come when it is desirable to look for alternative energy resources to confront the global energy crisis. Consideration of the increasing environmental problems and the possible crisis of fossil fuel availability at record high prices dictate that some changes will need to occur sooner rather than later. The recent oil spill in the Gulf of Mexico is just another example of the environmental threats that fossil fuels pose. This paper is an attempt to explore various bio-resources such as corn, barley, oat, rice, wheat, sorghum, sugar, safflower, and coniferous and non-coniferous species for the production of biofuels (ethanol and biodiesel). In order to assess the potential production of biofuel, in this paper, countries are organized into three groups based on: (a) geographic areas; (b) economic development; and(c) lending types, as classified by the World Bank. First, the total fossil fuel energy consumption and supply and possible carbon emission from burning fossil fuel is projected for these three groups of countries. Second, the possibility of production of biofuel from grains and vegetative product is projected. Third, a comparison of fossil fuel and biofuel is done to examine energy sustainability issues.

Dichotomous Reactivity of PCl5 and PBr5 Toward Cyclic Ketones: A One-Step Preparation of 1,1,2-Trichlorocycloalkanes

Abstract Small-ring cyclic ketones react with excess PCl5 in CCl4 (reflux, 1-3 d) to give the corresponding 1,1,2-trichlorocycloalkanes, but react with PBr5 to give ketones brominated in the α-positions.

The effects of annulation on cyclobutadiene bond alternation: a comparative study of semiempirical and ab initio methods☆

Abstract A great deal of interest has been directed toward cyclobutadiene (CBD) in the past because of its low activation barrier for automerization. The high reactivity of CBD has limited experimental investigations largely to tert-butyl substituted species. Little is known about the effect of specific molecular design perturbation, such as annulation, on the automerization energies. Herein, we describe this annulation effect and present a comparative study between semiempirical and ab initio methods. The calculations indicate that method selection is essential in these strained cyclic species. The semiempirical methods (AM1, MNDO and PM3) exhibit a reversal in the trend of isomerization energies from that obtained with ab initio methods (RHF/6-31G ∗ and MP2(fc)/6-31G ∗ //RHF/6-31G ∗ ) with respect to annulation.

A molecular salt of tricyanomethanide anion and a N,N′-dianisylphenazinium dication: cooperative affects of methoxy⋯methoxy and CN⋯N+ intermolecular contacts

A molecular salt of tricyanomethanide anion and a N,N′-dianisylphenazinium dication forms extended supramolecular assemblies that consist of unusual methoxy⋯methoxy and CN⋯N+ intermolecular contacts.

SCOPE AND STEREOCHEMISTRY OF 2+2 PHOTOCYCLOADDITIONS BETWEEN CYCLOPENTENONES AND 1,2-DICHLOROCYCLOALKENES

Abstract Cyclopentenone and dichlorocycloalkenes give [2+2] adducts whose stereochemistry (from modern NMR) is mostly cis, anti, cis; cis, syn, cis minor adducts are also found. Cophotolysis of dichlorocyclohexene and cycloheptanocyclopentenone does not give any adduct.

An ab initio study of annulation effects on the valence isomerism of benzene

Abstract Annulation should tilt the benzene/Dewar-benzene equilibrium toward benzene, the largest effective annulating ring being six-membered; MP2(fc)/6-31G*//RHF/6-31G* methods are needed to reproduce experimental isomerization energies, but 6-31G calculations suffice to show trends for molecular design. Download : Download full-size image Smaller “n” should favor isomerization; effective rings will have n≤6.