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Articles 1 - 8 of 8
Full-Text Articles in Physical Sciences and Mathematics
Centers Of Polymer Research; Polymer Science In Northeastern Japan, Otto Vogl, T. Yamaguchi
Centers Of Polymer Research; Polymer Science In Northeastern Japan, Otto Vogl, T. Yamaguchi
Otto Vogl
No abstract provided.
Centers Of Polymer Research; Polymer Science In Hokkaido, Japan, Otto Vogl, J. Sohma
Centers Of Polymer Research; Polymer Science In Hokkaido, Japan, Otto Vogl, J. Sohma
Otto Vogl
No abstract provided.
Decomposition Rates, Synthesis, And Spectral Properties Of A Series Of Alkyl Hyponitrites, Craig A. Ogle, Steve W. Martin, Michael P. Dziobak, Marek W. Urban, G. David Mendenhall
Decomposition Rates, Synthesis, And Spectral Properties Of A Series Of Alkyl Hyponitrites, Craig A. Ogle, Steve W. Martin, Michael P. Dziobak, Marek W. Urban, G. David Mendenhall
Steve W. Martin
A number of trans-alkyl hyponitrites (RON=NOR) were synthesized and characterized. At 66.1 f 0.1 "C in isooctane and with millimolar to micromolar concentrations first-order kinetics were observed with half-lives (min) of 12.8 f 0.2 (CHJ, 32.3 f 1.1 (2-C3H7), 15.0 1 0.3 (cyclohexyl), 25.2 i 1.2 (tert-butyl), 18.3 f 0.3 (tert-pentyl), 3.0 f 0.1 (benzyl), 11.2 f 0.5 (2-phenylethyl), and 5.5 f 0.3 (1-phenylethyl). The rate constants were concentration independent and showed little change with changes in solvent polarity or viscosity. Ultraviolet, magnetic resonance, infrared, and mass spectra for the new hyponitrites are reported. Most of the hyponitrites were highly …
Ab Initio Studies Of Abstraction Reactions Xhn + Hydrogen (H2) → Xhn+1 + Hydrogen (H) (X = Carbon, Nitrogen, Silicon, Or Phosphorus), Mark S. Gordon, David R. Gano, Jerry A. Boatz
Ab Initio Studies Of Abstraction Reactions Xhn + Hydrogen (H2) → Xhn+1 + Hydrogen (H) (X = Carbon, Nitrogen, Silicon, Or Phosphorus), Mark S. Gordon, David R. Gano, Jerry A. Boatz
Mark S. Gordon
The abstraction reactions CH3 + H2 --+ CH4 + H, SiH3 + H2 --+ SiH4 + H, NH2 + H2 --+ NH3 + H, and PH2 + H2--+ PH3 + H have been studied with a variety of methods, including MCSCF, POL-CI, UMP2, and UMP3. In agreement with the observed thermochemistry, abstraction by methyl radical is found to proceed more easily than by silyl, and the reverse of the last reaction occurs with a very small ( ~ 5.6 kcal/mol) barrier. POL-CI appears to be a consistently reliable approach for this type of reaction.
Are The Silacyclopentadienyl Anion And The Silacyclopropenyl Cation Aromatic?, Mark S. Gordon, Philip Boudjouk, Freidun Anwari
Are The Silacyclopentadienyl Anion And The Silacyclopropenyl Cation Aromatic?, Mark S. Gordon, Philip Boudjouk, Freidun Anwari
Mark S. Gordon
Stabilization energies attributable to aromaticity in the silacyclopentadienyl anion and the silacyclopropenyl cation were found to be small in the former and absent in the latter when calculated from bond-separation reactions employing 3-21G and ST0-2G basis sets. The silacyclopentadienyl anion is approximately 25% as aromatic as the all-carbon analogue whereas silabenzene is more than 80% as aromatic as benzene. The introduction of diffuse functions into the basis sets has only a small effect on these results. The silacyclopropenyl cation is actually destabilized but strain is probably a key factor in the comparison. Also found was that the ST0-2G basis set …
A Statistical Interpretation Of The Rotational Temperature Of No Desorbed For Ru(001), Stephen E. Bialkowski
A Statistical Interpretation Of The Rotational Temperature Of No Desorbed For Ru(001), Stephen E. Bialkowski
Stephen E. Bialkowski
A simple model of the rotational state of NO prior to thermal desorption from Ru(001) surface is developed in terms of the rotational heat capacity. The predicted rotational temperature of the desorbed species is consistent with known data on this system. The model is extended to predict translational energy anisotropy in the desorbed NO.
Xanes In (Tmtsef)2re04: Polarization Dependence Of The Se K-Edge, Juana Vivó Acrivos, S.S. P. Parkin
Xanes In (Tmtsef)2re04: Polarization Dependence Of The Se K-Edge, Juana Vivó Acrivos, S.S. P. Parkin
Juana Vivó Acrivos
We have measured XANES (X-ray Absorption Near Edge Spectra) near the Re Li (i=l,II,III) edges in (TMTTF)2Re04 and (TMTSeF) 2Re04 and the Se K edge in the latter compound. An important dependence of the XANES at the Se K edge on the polarisation of the incident beam with respect to the crystal axes was observed, whose interpretation can give information on the symmetry of the unoccupied conduction band states. The positions of the Re L edges were compared with those in several inorganic compounds containing Re in various oxidation states, and were found to be, within experimental error, the same …
Crystal Structures Of Trans-Acetyldicarbonyl- (Eta5-Cyclopentadienyl)(Dimethylphenylphosphane)- Molybdenum(Ii) And Trans-Acetyldicarbonyl- (Eta5-Cyclopentadienyl)(Ethyldiphenylphosphane)- Molybdenum(Ii), Matthew T. Whited, Gretchen E. Hofmeister, Connor J. Hodges, Laramie T. Jensen, Samuel H. Keyes, Aurapat Ngamnithiporn, Daron E. Janzen
Crystal Structures Of Trans-Acetyldicarbonyl- (Eta5-Cyclopentadienyl)(Dimethylphenylphosphane)- Molybdenum(Ii) And Trans-Acetyldicarbonyl- (Eta5-Cyclopentadienyl)(Ethyldiphenylphosphane)- Molybdenum(Ii), Matthew T. Whited, Gretchen E. Hofmeister, Connor J. Hodges, Laramie T. Jensen, Samuel H. Keyes, Aurapat Ngamnithiporn, Daron E. Janzen
Daron E Janzen, Ph.D.
No abstract provided.