Dimethyl Sulfide-Dimethyl Ether and Ethylene Oxide-Ethylene Sulfide Complexes Investigated by Fourier Transform Microwave Spectroscopy and Ab Initio Calculation.

The ground-state rotational spectra of the dimethyl sulfide-dimethyl ether (DMS-DME) and the ethylene oxide-ethylene sulfide (EO-ES) complexes were observed by Fourier transform microwave spectroscopy, and a-type and c-type transitions were assigned for the normal, (34)S, and three (13)C species of the DMS-DME and a-type and b-type transitions for the normal, (34)S, and two (13)C species of the EO-ES complexes. The transition frequencies measured for both the complexes were analyzed by using an S-reduced asymmetric-top rotational Hamiltonian. The rotational parameters thus derived for the DMS-DME were found to be consistent with a structure of Cs symmetry with the DMS bound to the DME by two C-H(DMS)···O and one S···H-C(DME) hydrogen bonds.

Intermolecular interaction in the formaldehyde-dimethyl ether and formaldehyde-dimethyl sulfide complexes investigated by Fourier transform microwave spectroscopy and ab initio calculations.

The ground-state rotational spectra of the formaldehyde-dimethyl ether (H2CO-DME) and formaldehyde-dimethyl sulfide (H2CO-DMS) complexes have been studied by Fourier transform microwave spectroscopy. The a-type and c-type rotational transitions have been assigned for the normal and deutrated formaldehyde-containing species of both complexes. In the case of H2CO-DME, doublets were observed with the splitting 10-300 kHz, whereas no such splittings were observed for H2CO-DMS, D2CO-DME, and D2CO-DMS.

Three intermolecular bonds form a weak but rigid complex: O(CH3)2...N2O.

The rotational spectrum of the dimethylether (DME)-N(2)O complex has been studied for the normal and three (15)N isotopomers, leading to rotational, centrifugal distortion, and nuclear quadrupole coupling constants, the molecular structure, and a binding energy of 8.4 kJ mol(-1). Here, it is shown that many DME-N(2)O-type complexes are bound with three intermolecular bonds and that the internal rotation splitting due to the methyl groups in the rotational spectrum was fixed by complexation, implying that many weak intermolecular bonds can fix the flexible motions and maintain a rigid structure.

The simplest linear-carbon-chain growth by atomic-carbon addition and ring opening reactions.

The formation mechanism of linear-carbon-chain molecules, C n O ( n = 2 - 9), synthesized in the discharge of C 3O 2 has been investigated on the basis of detailed analyses of previously obtained FTMW spectroscopic data. The relative abundances of the C n O products determined from their rotational spectrum intensities agree with those for the C n O (+) ions. The active chemicals in the reaction system include :C and :CCO only, and the observed products exclusively consist of C n O, leading to a likely formation mechanism of the atomic-carbon addition and ring opening reaction.

Fourier transform microwave spectrum of CO-dimethyl ether.

Two sets of 32 rotational transitions were observed for the carbon monoxide-dimethyl ether (CO-DME) complex and two sets of 30 transitions for both (13)CO-DME and C(18)O-DME, in the frequency region from 3.5 to 25.2 GHz, with J ranging from 1<--0 up to 7<--6, by using a Fourier transform microwave spectrometer.

Rotational spectrum and inversion motions in the neon-dimethyl sulfide complex.

The rotational spectra of the (20)Ne and (22)Ne isotopomers of the Ne-dimethyl sulfide (DMS) rare gas dimer have been measured by Fourier transform microwave spectroscopy. MP2/6-311++G(2d,2p) calculations, and the experimental spectroscopic data, suggest a structure of C(s) symmetry in which the Ne atom lies above the heavy atom plane of the DMS (in the sigma(v) plane which bisects the CSC angle). Experimental rotational constants are consistent with a S.

Microwave Fourier transform spectrum of the water-carbonyl sulfide complex.

The microwave spectrum of the water-carbonyl sulfide complex H(2)O-OCS was observed with a pulsed-beam, Fabry-Perot cavity Fourier-transform microwave spectrometer. In addition to the normal isotopic form, we also measured the spectra of H(2)O-S(13)CO, H(2)O-(34)SCO, H(2) (18)O-SCO, D(2)O-SCO, D(2)O-S(13)CO, D(2)O-(34)SCO, HDO-SCO, HDO-S(13)CO, and HDO-(34)SCO. The rotational constants are B = 1522.

Weak, improper, C-O...H-C hydrogen bonds in the dimethyl ether dimer.

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), (DME-d(6))..