Dr. Dixon's Publication List: 1991-1994

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151. "The syntheses and structures of iron carbonyl adducts of tricoordinated hypervalent phosphorus compounds." Arduengo, A. J., III; Lattman, M.; Dixon, D. A.; Calabrese, J. C. Heteroat. Chem. 2, 395-407 (1991).

152. "The N₂F⁺ cation. An unusual ion containing the shortest presently known nitrogen-fluorine bond." Christe, K. O.; Wilson, R. D.; Wilson, W. W.; Bau, R.; Sukumar, S.; Dixon, D. A. J. Am. Chem. Soc. 113, 3795-800 (1991).

153. "The pentafluoroxenate(IV) anion, XeF₅^-: the first example of a pentagonal planar AX₅ species." Christe, K. O.; Curtis, E. C.; Dixon, D. A.; Mercier, H. P.; Sanders, J. C. P.; Schrobilgen, G. J. J. Am. Chem. Soc. 113, 3351-61 (1991).

154. "Models for magnetic coupling in metallocene based donor/acceptor complexes." Dixon, D. A.; Suna, A.; Miller, J. S.; Epstein, A. J. NATO ASI Series, Series E: Applied Sciences 198, 171-90 (1991).

155. "Edge inversion in tricoordinated main Group IV anions." Dixon, D. A.; Arduengo, A. J., III; Lappert, M. F. Heteroat. Chem. 2, 541-4 (1991).

156. "Application of local-density-functional theory to molecules containing a hypervalent bond." Dixon, D. A.; Arduengo, A. J., III Int. J. Quantum Chem. 25, 269-79 (1991).

157. "Density functional study of a highly correlated molecule, oxygen fluoride (FOOF)." Dixon, D. A.; Andzelm, J.; Fitzgerald, G.; Wimmer, E. J. Phys. Chem. 95, 9197-202 (1991).

158. "Electronic structure of l₅-phosphaacetylene and corresponding triplet methylenes." Dixon, D. A.; Dobbs, K. D.; Arduengo, A. J., III; Bertrand, G. J. Am. Chem. Soc. 113, 8782-5 (1991).

159. "Benchmark and testing of the local density functional method for molecular systems." Dixon, D. A.; Andzelm, J.; Fitzgerlad, G.; Wimmer, E.; Jasien, P. Density Funct. Methods Chem., 33-48 (1991).

160. "The effect of fluorination on polyacetylene and the role of internal hydrogen bonds to fluorine. Molecular orbital models." Dixon, D. A.; Smart, B. E. ACS Symposium Series 456, 18-35 (1991).

161. "Lowest energy distortions in hypervalent sulfur compounds: thiapentalenes." Dixon, D. A.; Arduengo, A. J., III Phosphorus, Sulfur Silicon Rel. Elem. 55, 35-40 (1991).

162. "Electronic structure of a stable nucleophilic carbene." Dixon, D. A.; Arduengo, A. J., III J. Phys. Chem. 95, 4180-2 (1991).

163. "Conformational energies of 2-fluoroethanol and 2-fluoroacetaldehyde enol: strength of the internal hydrogen bond." Dixon, D. A.; Smart, B. E. J. Phys. Chem. 95, 1609-12 (1991).

164. "Homologous pairing in vitro stimulated by the recombination hotspot, Chi." Dixon, D. A.; Kowalczykowski, S. C. Cell 66, 361-71 (1991).

165. "Electric-field-enhanced laser-induced plasma spectroscopy of jet-cooled metal-based ion-molecule complexes." He, K. X.; Hammond, T. D.; Winstead, C. B.; Gole, J. L.; Dixon, D. A. J. Chem. Phys. 95, 7183-93 (1991).

166. "Perhalodioxins and perhalodihydrodioxins." Krespan, C. G.; Dixon, D. A. J. Org. Chem. 56, 3915-23 (1991).

167. "Hexacyanobutadiene: molecular and electronic structures of [C₄(CN)₆]ⁿ (n = 0, 2-)." Miller, J. S.; Calabrese, J. C.; Dixon, D. A. J. Phys. Chem. 95, 3139-48 (1991).

168. "RecBCD-dependent joint molecule formation promoted by the Escherichia coli RecA and SSB proteins." Roman, L. J.; Dixon, D. A.; Kowalczykowski, S. C. Proc. Nat. Acad. Sci. USA 88, 3367-71 (1991).

169. "Decamethylmanganocenium tetracyanoethenide, [Mn(C₅Me₅)₂]^··+[TCNE]^·-: a molecular ferromagnet with an 8.8 K Tc." Yee, G. T.; Manriquez, J. M.; Dixon, D. A.; McLean, R. S.; Groski, D. M.; Flippen, R. B.; Narayan, K. S.; Epstein, A. J.; Miller, J. S. Adv. Mater. 3, 309-11 (1991).

170. "In pursuit of cyclopropanethione: cyclopropanethione S-oxide and S,S-dioxide." Block, E.; Schwan, A.; Dixon, D. A. J. Am. Chem. Soc. 114, 3492-9 (1992).

171. "The pentabromine(1+) cation, Br₅⁺. Local density functional calculations and vibrational spectra." Christe, K. O.; Dixon, D. A.; Minkwitz, R. Z. Anorg. Allg. Chem. 612, 51-5 (1992).

172. "A quantitative scale for the oxidizing strength of oxidative fluorinators." Christe, K. O.; Dixon, D. A. J. Am. Chem. Soc. 114, 2978-85 (1992).

173. "Conformational analysis of 1,2-dihaloethanes: a comparison of theoretical methods." Dixon, D. A.; Matsuzawa, N.; Walker, S. C. J. Phys. Chem. 96, 10740-6 (1992).

174. "The electronic structure and vibrational frequencies of diazomethylene and silicon nitride (CNN and SiNN) from local density functional methods." Dixon, D. A.; DeKock, R. L. J. Chem. Phys. 97, 1157-61 (1992).

175. "Patterns for addition to fullerene (C₆₀)." Dixon, D. A.; Matsuzawa, N.; Fukunaga, T.; Tebbe, F. N. J. Phys. Chem. 96, 6107-10 (1992).

176. "Torsional potential about the central carbon-carbon bond in perfluoro-n-butane." Dixon, D. A. J. Phys. Chem. 96, 3698-701 (1992).

177. "Description of the ground state electronic structures of copper oxide, copper sulfide, silver oxide, and silver sulfide (Cu₂O, Cu₂S, Ag₂O, and Ag₂S)." Dixon, D. A.; Gole, J. L. Chem. Phys. Lett. 189, 390-4 (1992).

178. "The electronic structure of the silicon and germanium trimers in the local-density-functional approximation." Dixon, D. A.; Gole, J. L. Chem. Phys. Lett. 188, 560-4 (1992).

179. "Nitrosyl hypofluorite: local density functional study of a problem case for theoretical methods." Dixon, D. A.; Christe, K. O. J. Phys. Chem. 96, 1018-21 (1992).

180. "Some well characterized chemical reactivities of buckminsterfullerene (C60)." Fagan, P. J.; Chase, B.; Calabrese, J. C.; Dixon, D. A.; Harlow, R.; Krusic, P. J.; Matsuzawa, N.; Tebbe, F. N.; Thorn, D. L.; Wasserman, E. Carbon 30, 1213-26 (1992).

181. "Accurate proton affinities: ab initio proton binding energies for molecular nitrogen, carbon monoxide, carbon dioxide, and methane." Komornicki, A.; Dixon, D. A. J. Chem. Phys. 97, 1087-94 (1992).

182. "Concerted hydrogen atom exchange between three hydrogen fluoride molecules." Komornicki, A.; Dixon, D. A.; Taylor, P. R. J. Chem. Phys. 96, 2920-5 (1992).

183. "Electronic structures of 1,2- and 1,4-C₆₀X_2n derivatives with n = 1, 2, 4, 6, 8, 10, 12, 18, 24, and 30." Matsuzawa, N.; Fukunaga, T.; Dixon, D. A. J. Phys. Chem. 96, 10747-56 (1992).

184. "Semiempirical calculations of hyperpolarizabilities for extended p systems: polyenes, polyynes, and polyphenyls." Matsuzawa, N.; Dixon, D. A. Int. J. Quantum Chem. 44, 497-515 (1992).

185. "Semiempirical calculations of dihydrogenated buckminsterfullerenes, C₆₀H₂." Matsuzawa, N.; Dixon, D. A.; Fukunaga, T. J. Phys. Chem. 96, 7594-604 (1992).

186. "Semiempirical calculations of fullerene (C60) derivatives: addition to double bonds radiating from a five-membered ring." Matsuzawa, N.; Dixon, D. A.; Krusic, P. J. J. Phys. Chem. 96, 8317-25 (1992).

187. "Local density functional calculations of the polarizability and second-order hyperpolarizability of fullerene-C60." Matsuzawa, N.; Dixon, D. A. J. Phys. Chem. 96, 6872-5 (1992).

188. "Semiempirical calculations of hyperpolarizabilities for donor-acceptor molecules: comparison to experiment." Matsuzawa, N.; Dixon, D. A. J. Phys. Chem. 96, 6232-41 (1992).

189. "Semiempirical calculations of the polarizability and second-order hyperpolarizability of fullerenes (C60 and C70), and model aromatic compounds." Matsuzawa, N.; Dixon, D. A. J. Phys. Chem. 96, 6241-7 (1992).

190. "Heterolytic carbon-fluorine bond energies and stabilities of poly(perfluoroethers)." Smart, B. E.; Dixon, D. A. J. Fluorine Chem. 57, 251-8 (1992).

191. "A local density functional study of the structure and vibrational frequencies of molecular transition-metal compounds." Sosa, C.; Andzelm, J.; Elkin, B. C.; Wimmer, E.; Dobbs, K. D.; Dixon, D. A. J. Phys. Chem. 96, 6630-6 (1992).

192. "Heptacoordination: pentagonal bipyramidal heptafluoroxenon(1+) XeF₇⁺ and heptafluorotellurate(1-) TeF₇^- ions." Christe, K. O.; Dixon, D. A.; Sanders, J. C. P.; Schrobilgen, G. J.; Wilson, W. W. J. Am. Chem. Soc. 115, 9461-7 (1993).

193. "Osmium tetrafluoride dioxide, cis-OsO₂F₄." Christe, K. O.; Dixon, D. A.; Mack, H. G.; Oberhammer, H.; Pagelot, A.; Sanders, J. C. P.; Schrobilgen, G. J. J. Am. Chem. Soc. 115, 11279-84 (1993).

194. "On the structure of IOF₅ [iodine fluoride oxide]." Christe, K. O.; Curtis, E. C.; Dixon, D. A. J. Am. Chem. Soc. 115, 9655-8 (1993).

195. "The hexafluorooxotechnetate(2-) anion: the first example of a multiply charged, pentagonal bipyramidal, main-group element AX₅Y_Z species and the vibrational spectra of the TeOF₅^- anion." Christe, K. O.; Dixon, D. A.; Sanders, J. C. P.; Schrobilgen, G. J.; Wilson, W. W. Inorg. Chem. 32, 4089-93 (1993).

196. "The IOF₆^- anion: the first example of a pentagonal bipyramidal AX₅YZ species." Christe, K. O.; Dixon, D. A.; Mahjoub, A. R.; Mercier, H. P. A.; Sanders, J. C. P.; Seppelt, K.; Schrobilgen, G. J.; Wilson, W. W. J. Am. Chem. Soc. 115, 2696-706 (1993).

197. "The aminodiazonium cation, H₂N₃⁺." Christe, K. O.; Wilson, W. W.; Dixon, D. A.; Khan, S. I.; Bau, R.; Metzenthin, T.; Lu, R. J. Am. Chem. Soc. 115, 1836-42 (1993).

198. "On the problem of heptacoordination: vibrational spectra, structure, and fluxionality of iodine heptafluoride." Christe, K. O.; Curtis, E. C.; Dixon, D. A. J. Am. Chem. Soc. 115, 1520-6 (1993).

199. "Tetrafluorosulfate(1-) and tetrafluorooxosulfate(1-) radical anions (SF₄^- and SF₄O^-)." Christe, K. O.; Dixon, D. A.; Goldberg, I. B.; Schack, C. J.; Walther, B. W.; Wang, J. T.; Williams, F. J. Am. Chem. Soc. 115, 1129-34 (1993).

200. "Structural studies of tris(dialkylamino)sulfonium (TAS) fluorosilicates." Dixon, D. A.; Farnham, W. B.; Heilemann, W.; Mews, R.; Noltemeyer, M. Heteroat. Chem. 4, 287-95 (1993).

201. "Ab initio prediction of the barrier height for abstraction of atomic hydrogen from methane by hydroxyl." Dobbs, K. D.; Dixon, D. A.; Komornicki, A. J. Chem. Phys. 98, 8852-8 (1993).

202. "Prediction of activation energies for the exchange reaction H + H'X -> H' + HX by ab initio molecular orbital methods." Dobbs, K. D.; Dixon, D. A. J. Phys. Chem. 97, 2085-91 (1993).

203. "Electronic structure of palladium dimer from density functional theory." Nakao, T.; Dixon, D. A.; Chen, H. J. Phys. Chem. 97, 12665-7 (1993).

204. "Cyanil. Synthesis and characterization of the strongest isolated electron acceptor and its reduced forms." Vazquez, C.; Calabrese, J. C.; Dixon, D. A.; Miller, J. S. J. Org. Chem. 58, 65-81 (1993).

205. "Photoelectron Spectroscopy of a Carbene/Silylene/Germylene Series." Arduengo, A. J., III; Bock, H.; Chen, H.; Denk, M.; Dixon, D. A.; Green, J. C.; Herrmann, W. A.; Jones, N. L.; Wagner, M.; West, R. J. Am. Chem. Soc. 116, 6641-9 (1994).

206. "Chemical Shielding Tensor of a Carbene." Arduengo, A. J., III; Dixon, D. A.; Kumashiro, K. K.; Lee, C.; Power, W. P.; Zilm, K. W. J. Am. Chem. Soc. 116, 6361-7 (1994).

207. "Electron Distribution in a Stable Carbene." Arduengo, A. J., III; Dias, H. V. R.; Dixon, D. A.; Harlow, R. L.; Klooster, W. T.; Koetzle, T. F. J. Am. Chem. Soc. 116, 6812-22 (1994).

208. "Regiochemistry of Radical Addition to C70." Borghi, R.; Lunazzi, L.; Placucci, G.; Krusic, P. J.; Dixon, D. A.; Knight, L. B., Jr. J. Phys. Chem. 98, 5395-8 (1994).

209. "Molecular Structure of Fluorine Nitrate: Dangerous for Experiment and Theory." Casper, B.; Dixon, D. A.; Mack, H.-G.; Ulic, S. E.; Willner, H.; Oberhammer, H. J. Am. Chem. Soc. 116, 8317-21 (1994).

210. "Hydrolysis and Methanolysis of PF₄^- and Nuclear Magnetic Resonance and Vibrational Spectra of the POF₂^- and HPO₂F^- Anions." Christe, K. O.; Dixon, D. A.; Sanders, J. C. P.; Schrobilgen, G. J.; Wilson, W. W. Inorg. Chem. 33, 4911-19 (1994).

211. "Vibrational Spectra and Mutual Ligand Interactions in the Hydrogen-Substituted Main Group Hexafluorides HPF₅+ and HSF₅." Christe, K. O.; Dixon, D. A.; Wilson, W. W. J. Am. Chem. Soc. 116, 7123-8 (1994).

212. "Heptacoordinated main-group fluorides and oxofluorides." Christe, K. O.; Curtis, E. C.; Dixon, D. A.; Mercier, H. P. A.; Sanders, J. C. P.; Schrobilgen, G. J.; Wilson, W. W. ACS Symposium Series 555, 66-89 (1994).

213. "Tetrafluorophosphite, PF₄ ^-, Anion." Christe, K. O.; Dixon, D. A.; Mercier, H. P. A.; Sanders, J. C. P.; Schrobilgen, G. J.; Wilson, W. W. J. Am. Chem. Soc. 116, 2850-8 (1994).

214. "Computational chemistry for the design of materials with low environmental impact." Dixon, D. A.; Dobbs, K. D. Trans. Mater. Res. Soc. Jpn. 18A, 373-7 (1994).

215. "Amide-Water and Amide-Amide Hydrogen Bond Strengths." Dixon, D. A.; Dobbs, K. D.; Valentini, J. J. J. Phys. Chem. 98, 13435-9 (1994).

216. "Density Functional Study of the Structures and Nonlinear Optical Properties of Urea." Dixon, D. A.; Matsuzawa, N. J. Phys. Chem. 98, 3967-77 (1994).

217. "Ab Initio Prediction of the Activation Energy for the Abstraction of a Hydrogen Atom from Methane by Chlorine Atom." Dobbs, K. D.; Dixon, D. A. J. Phys. Chem. 98, 12584-9 (1994).

218. "Ab Initio Prediction of the Activation Energies for the Abstraction and Exchange Reactions of H with CH₄ and SiH₄." Dobbs, K. D.; Dixon, D. A. J. Phys. Chem. 98, 5290-7 (1994).

219. "Prediction of Infrared Intensities by Using Density Functional Theory. Applications to H₂O, HOO, CH₄, and C₂H₄." Dobbs, K. D.; Dixon, D. A. J. Phys. Chem. 98, 4498-501 (1994).

220. "Theoretical Prediction of the Hyperpolarizabilities for 4-Aminoindoaniline." Matsuzawa, N.; Dixon, D. A. J. Phys. Chem. 98, 11677-84 (1994).

221. "Theoretical Study of the Conformation and Second-Order Hyperpolarizability of Substituted Phenylpolyacetylenes." Matsuzawa, N.; Dixon, D. A. J. Phys. Chem. 98, 11669-76 (1994).

222. "Dimerization of C60: The Formation of Dumbbell-Shaped C120." Matsuzawa, N.; Ata, M.; Dixon, D. A.; Fitzgerald, G. J. Phys. Chem. 98, 2555-63 (1994).

223. "Density functional theory predictions of polarizabilities and first- and second-order hyperpolarizabilities for molecular systems." Matsuzawa, N.; Dixon, D. A. J. Phys. Chem. 98, 2545-54 (1994).

224. "Stereoselectivity in Intramolecular Diene Cyclozirconation: A Combined Experimental and Theoretical Approach." Taber, D. F.; Louey, J. P.; Wang, Y.; Nugent, W. A.; Dixon, D. A.; Harlow, R. L. J. Am. Chem. Soc. 116, 9457-63 (1994).

225. "Determination of spin density distribution in tetracyanoethylene radical anions by single-crystal diffraction of polarized neutrons." Zheludev, A.; Grand, A.; Ressouche, E.; Schweizer, J.; Morin, B. G.; Epstein, A. J.; Dixon, D. A.; Miller, J. S. Angew. Chem. 106, 1454-7 (1994).

226. "Experimental Determination of the Spin Density in the Tetracyanoethenide Free Radical, [TCNE]^·-, by Single-Crystal Polarized Neutron Diffraction. A View of a p* Orbital." Zheludev, A.; Grand, A.; Ressouche, E.; Schweizer, J.; Morin, B. G.; Epstein, A. J.; Dixon, D. A.; Miller, J. S. J. Am. Chem. Soc. 116, 7243-9 (1994).

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