ChemInform Abstract: CONFORMATIONAL ANALYSIS OF 2-METHYLBUTANEstructure (organic substancesNo abstract is available for this article.doi:10.1002/chin.197347097LIPNICK ROBERT L.GARBISCH EDGAR W. JUN.WILEY‐VCH Verlag GmbHChemischer Informationsdienst
Zero-order normal coordinate calculations were made for the five conformers of each compound that have all the carbon atoms coplanar. Comparison of the observed and calculated wavenumbers led to the conclusion that all five conformers of Cl(CH 2) 4I are present in the liquid and solid states...
Conformational analysis can be used to predict and explain product(s) selectivity, mechanisms, and rates of reactions. We will not go into such detail, but we will be taking the principles learnt in cases such as butane and methylcyclohexane, and applying them to more complex alkanes. Open-...
If n-butane is rotated out of the arrangement with the two bonds to the methyl groups in 180° orientation (trans), the methyl group at the “front” carbon and the hydrogen atom at the “back” carbon will directly coincide which each other at a rotation angle of 120° and 240° ...
Conformational characteristics of poly(tetramethylene oxide) (PTMO) have been investigated on the basis of the conformational energies evaluated for its monomer model 1,4-dimethoxybutane (DMB) from the ab initio molecular orbital (MO) calculations at the second-order MllerPlesset correlation level with...
Conformational analysis of (A) cis-1,2-dimethylcyclohexane and (B) trans-1,2-dimethylcyclohexane. The steric energy, ΔH0X of the conformer X can be estimated from the A value of Me (1.74 kcal mol− 1) and the steric interaction between a-Me and e-Me (a-Me ↔ e-Me) which ...
ChemInform Abstract: CRYSTAL STRUCTURE, PROTON MAGNETIC RESONANCE SPECTRA, AND CONFORMATIONAL ANALYSIS OF 1,4‐DIPHENYL‐1,4‐DITHIABUTANE 1,4‐DIOXIDES AND RELATED MESO DL AND ERYTHRO THREO SYSTEMSdoi:10.1002/chin.197848078structure (organic substances)A. L. JUN. TERNAY...
nomenclatureblackburnconformationalconformationssynthesisbutane 系统标签: nomenclatureblackburnconformationalconformationssynthesisbutane Alkanes Nomenclature,ConformationalAnalysis,andanIntroductiontoSynthesis Alkanes saturatedaliphatichydrocarbons paraffins generalformulaCnH2n+2 acyclichydrocarbons Sourcesofmethane majorconstituentof...
Conformational Analysis of Some DichloroalkanesDichloroalkanesConformational analysis Molecular mechanics calculationsMolecular mechanics calculations were made for 1,1-dichlorobutane, 2,2-dichlorobutane, and 1,2-dichloro-2-methylpropane in order to compare the results with conclusions obtained from vibrational...
This observation leads us to conclude that the higher conductance of the A-form is due to the large difference in the DoS in the central bridge region. Finally, we note that all of the analysis we have performed indicates that A-form should be higher in conductance than B-form in ...