The Molecular Geometry of Trichloromethyl Sulphonyl Chloride as Studied by Electron Diffraction. Estimation of the Barrier to Internal Rotation
نویسندگان
چکیده
für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namensnennung 4.0 Lizenz. The Molecular Geometry of Trichloromethyl Sulphonyl Chloride as Studied by Electron Diffraction. Estimation of the Barrier to Internal Rotation
منابع مشابه
On the Structural Differences between Trifluoromethyl Sulphonyl Chloride (CF3SOäCl) and Methane Sulphonyl Chloride (CH3S03C1)
The molecular geometries of trifluoromethyl sulphonyl chloride and methane sulphonyl chloride have been determined by electron diffraction [1] and [2] (see also [3]), respectively. The structural variations in the bond configuration around the sulphur atom upon the changing electronegativities of the ligands have been discussed in detail [4]. The geometries of the two mentioned sulphonyl chlori...
متن کاملInvestigation on Mechanism of Cordierite Formation from Nano Silica-Magnesium chloride-Reactive Alumina
Cordierite ceramics are used as refractory materials and kiln furnaces tools due to their very low coefficient of thermal expansion, high corrosion resistance and excellent thermal shock resistance. The aim of the present work was to synthesis of cordierite with raw materials including nano silica, magnesium chloride and reactive alumina. The synthesis procedure is done at solid state. Mechanis...
متن کاملQuantum Chemical Modeling of N-(2-benzoylphenyl)oxalamate: Geometry Optimization, NMR, FMO, MEP and NBO Analysis Based on DFT Calculations
In the present work, the quantum theoretical calculations of the molecular structure of the (N-(2-benzoylphenyl) oxalamate has been investigated and are evaluated using Density Functional Theory (DFT). The geometry of the title compound was optimized by B3LYP method with 6-311+G(d) basis set. The theoretical 1H and 13C NMR chemical shift (GIAO method) values of the title compound are calculated...
متن کاملInvestigation of the interaction of carbon dioxide fluid with internal and external single-wall carbon nanotubes by DFT
The effective parameters of (5, 0) and (5, 5) single-wall carbon nanotubes during the interaction with carbon dioxide as sensors are determined. The interaction of carbon dioxide molecules with internal and external walls of the nanotubes is studied using Gaussian 03 coding by density functional theory (DFT) at the B3LYP/6-311G level of theory. CO2 rotation around tube axles vertically and par...
متن کاملSelf-Consistent Analysis of Barrier Characterization Effects on Quantum Well Laser Internal Performance
In this paper, a numerical study of barrier characterization effects on the high-temperature internal performance of an InGaAsP multi-quantum well laser is presented. The softwareused for this purpose self-consistently combines the three-dimensional simulation of carrier transports, self-heating, and optical waveguiding. The laser model calculates all relevant physical mechanisms, including the...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
دوره شماره
صفحات -
تاریخ انتشار 2013