molecular orbitals calculationsorganic compoundsorganic molecule configurationsSCF calculations/ dimethyl ether-boron trifluoride complexmolecular structurebond distancesbond anglesNot Availabledoi:10.1016/0022-2860(81)80117-2F. HirotaY. KoyamaS. Shibata
The rotational spectra for five isotopomers of the 1:1 weakly bound complex formed between dimethyl ether (DME) and acetylene (HCCH) have been measured by Fourier transform microwave spectroscopy. The experimental rotational constants, planar moments, and dipole moment components are consistent with a...
The ground-state rotational spectrum of the dimethyl ether dimer, (DME)(2), has been studied by molecular beam Fourier transform microwave and free jet millimeter wave absorption spectroscopies. The molecular beam Fourier transform microwave spectra of the (DME-d(6))(2), (DME-(13)C)(2), ...
This is also the primary reason for the observation that DME is better than methanol with respect to spray characteristics35, and di-n-butyl ether and di-ethyl ether show the same results36,37. Oxygenated fuels with different oxygen groups behave with a larger spray angle, shorter spray ...
Molecular orbital study of complexes of zinc(II) with sulphide, thiomethanolate, thiomethanol, dimethylth- ioether, thiophenolate, formiate, acetate, carbonate, hydro- gen carbonate, iminomethane and imidazole: Relationships with structural and catalytic zinc in some metallo-enzymes. Journal of ...
Considering the similar geometry of 3 and 4 in the coordination site of propene, the syndiospecificity of 4 being the lowest is very strange. Miller et al.37–39 reported that the diethyl-ether-coordinated Zr analog of 4, in which the fluorenyl ligand is coordinated to Zr in Z1-mode 5...
from benzene/petroleum ether, elem. anal.; 99% 5419-96-5 furan-2-aldehyde thiosemicarbazone 753-73-1 dimethyltin dichloride 110039-94-6 (CH3)2SnCl[C4H3OCHNNC(S)NH2] Conditions ConditionsYield With triethylamine In tetrahydrofuran byproducts: Et3N*HCl; to soln. of Me2SnCl2 and...
matic and ether type solvents, but are poorly soluble in aliphatic hydrocarbons, except for 4 which is moder- ately soluble in n-hexane. Compounds 1–3 were identified by comparison of their 1 H-NMR spectra with those reported in the literature. The IR spectra of 4–6 showed the typic...
For (CF 3 ) 2 O, the calculated proton affinity of 602 kJ mol 1 suggests that perfluorinated ether molecules do not act as Lewis bases under normal circumstances, e.g. degradation of commercial lubricants in tribological applications.doi:10.1016/S0166-1280(96)04923-8Victoria B. Orgel...
The optimized geometries, torsional energy barriers and atomic charge in dimethyl ether and perfluoro-dimethyl ether have been investigated with density functional theory (dft) molecular orbital calculations. The optimized dimethyl ether (DME) and perfluoro-dimethyl ether (PFDME) geometries have been ...