Energy Difference between Rotational Isomers of Methyl Ethyl Ether

Searching for trans ethyl methyl ether in Orion KL.

We report on the tentative detection of trans ethyl methyl ether (tEME), t-CH3CH2OCH3, through the identification of a large number of rotational lines from each one of the spin states of the molecule towards Orion KL. We also search for gauche-trans-n-propanol, Gt-n-CH3CH2CH2OH, an isomer of tEME in the same source. We have identified lines of both species in the IRAM 30 m line survey and in t...

Synthesis and Structure of Geometric Isomers of 1-[(methoxyimino)ethyl]- ferrocene and Methyl 1'-[(methoxyimino)ethyl]ferrocene-1-carboxylate

Here we report synthesis, spectral data and single-crystal X-ray molecular and crystal structures of (E)-1-[(methoxyimino)ethyl] ferrocene (2) and (E)-methyl 1'-[(methoxyimino)ethyl]ferrocene-1carboxylate (4). These organometallics are recognized as precursors for optically pure (1ferrocenylethyl)amine (Fea) and 1'-(1-aminoethyl)ferrocene-1-carboxylic acid (Fcca) derivatives. The (E/Z)mixtures...

Spectroscopic separation of the methyl internal-rotational isomers of thioanisole isotopomers (C6H5S-CH2D and C6H5S-CHD2).

Two distinct rotational isomers of thioanisole-d1 (C6H5S-CH2D) and thioanisole-d2 (C6H5S-CHD2) with respect to the internal rotation of the methyl moiety have been identified and characterized spectroscopically using the resonantly enhanced two photon ionization, UV-UV hole burning, and slow-electron velocity map imaging techniques. From the statistical weights, the definite assignment for the ...

Enantioselective 1,3-dipolar cycloaddition of nitrones with ethyl vinyl ether: the difference between Brønsted and Lewis acid catalysis.

CCSD(T) study of the far-infrared spectrum of ethyl methyl ether.

Band positions and intensities for the far-infrared bands of ethyl methyl ether are variationally determined from a three-dimensional (3D) potential energy surface calculated with CCSD(T)/cc-pVTZ theory. For this purpose, the energies of 181 selected geometries computed optimizing 3n-9 parameters are fitted to a 3D Fourier series depending on three torsional coordinates. The zero point vibratio...