Zeeman-Effekt im Rotationsspektrum von Perdeuterodimethylsulfid / Rotational zeeman-effect of perdeuterodimethylsulfid

Abstract The rotational Zeeman effect of (CH3)2S and (CD3)2S has been observed under high resolution. Earlier measurements of BENSON and FLYGARE 2 on (CH3)2S were supplemented by the recording of two additional transitions. A line shape analysis was used to evaluate the data which led to the determination of the diagonal elements of the g-tensor and of the susceptibility anisotropies [in 10-6 erg/(G2 mole)] :From the change of the g-values upon deuteration it was possible to determine the sign of the electric dipole moment (negative end at the sulfur atom)

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Experimental determination of the orientation of the molecular electric dipole moment within light molecules: A rotational zeeman effect study of H2CO and D2CO in excited vibrational states

Journal of Molecular Structure ◽

10.1016/0022-2860(83)90192-8 ◽

1983 ◽

Vol 97 ◽

pp. 173-194 ◽

Cited By ~ 8

Author(s):

D. Hübner ◽

M. Stolze ◽

D.H. Sutter

Keyword(s):

Dipole Moment ◽

Experimental Determination ◽

Electric Dipole Moment ◽

Electric Dipole ◽

Zeeman Effect ◽

Effect Study ◽

Vibrational States

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The Rotational Zeeman Effect of Methyl-and Silylbromide

Zeitschrift für Naturforschung A ◽

10.1515/zna-1979-0410 ◽

1979 ◽

Vol 34 (4) ◽

pp. 469-481

Author(s):

K.-F. Dössel ◽

D. H. Sutter

Keyword(s):

Dipole Moment ◽

High Resolution ◽

Electric Dipole Moment ◽

Electric Dipole ◽

Zeeman Effect ◽

Spin Rotation ◽

Coupling Constants

The rotational Zeeman effect of the J→J' = 0→1, K = 0 transition has been investigated for CH381Br and SiH381Br under high resolution. The shielding constant for the 81Br-nucleus in these molecules has been determined from the spectra and is compared to the values calculated from the spin-rotation coupling constants. The sign of the electric dipole moment in SiHßBr is shown to be ⊕H3SiBr⊕. From the Zeeman effect of two K ≠ 0 transitions of SiH3Br, g|| is determined to be negative for SiHaBr, in contrast to CH3Br, where g|| is positive

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Molecular g-Values and Magnetic Susceptibility Anisotropy Parameters of D2-Ketene. Sign of the Dipole Moment of Ketene

Zeitschrift für Naturforschung A ◽

10.1515/zna-1974-1019 ◽

1974 ◽

Vol 29 (10) ◽

pp. 1495-1497 ◽

Cited By ~ 9

Author(s):

K. V. L. N. Sastry ◽

A. Guarnieri

Keyword(s):

Magnetic Susceptibility ◽

Dipole Moment ◽

High Resolution ◽

Electric Dipole Moment ◽

Electric Dipole ◽

Zeeman Effect ◽

Magnetic Susceptibility Anisotropy ◽

Anisotropy Parameters ◽

G Factors

Abstract The rotational Zeeman-effect of D2CCO has been observed under high resolution. In addition to g-factors and susceptibility anisotropics the sign of the electric dipole moment has been determined after having remeasured the same parameters for normal ketene under identical conditions.

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Determination of the Accurate Values of the Rate Constant and Thermodynamic Parameters for the Rotation About the C(sp2)-C(aryl) Bond; Adamantan-1-yl 3-Bromo-2,4,6-trimethylphenyl Ketone

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19980955 ◽

1998 ◽

Vol 63 (7) ◽

pp. 955-966

Author(s):

Eva Přibylová ◽

Miroslav Holík

Keyword(s):

Thermodynamic Parameters ◽

Shape Analysis ◽

Rate Constants ◽

Line Shape ◽

Microsoft Excel ◽

Hindered Rotation ◽

H Nmr ◽

Line Shape Analysis ◽

Coalescence Temperature

Four programs for the 1H NMR line shape analysis: two commercial - Winkubo (Bruker) and DNMR5 (QCPE 165) and two written in our laboratory - Newton (in Microsoft Excel) and Simtex (in Matlab) have been tested in order to get highly accurate rate constants of the hindered rotation about a single bond. For this purpose four testing criteria were used, two of them were also developed by us. As supplementary determinations the rate constants obtained for the coalescence temperature and for the thermal racemization of chromatographically separated enantiomers were used which fitted well the temperature dependence of the rate constants determined by the line shape analysis. As a test compound adamantan-1-yl 3-bromo-2,4,6-trimethylphenyl ketone was prepared and studied. It was shown that supermodified simplex method used in our algorithm (Simtex), though time consuming, gives the most accurate values of the rate constants and consequently the calculated thermodynamic parameters Ea, ∆H≠, and ∆S≠ lay in relatively narrow confidence intervals.

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