Molecular Zeeman Effect of Dimethyl Ether and Dimethyl Sulfide; and Comparison of the Magnetic Susceptibility Anisotropies with Ethylene Sulfide and Ethylene Oxide

1970 ◽  
Vol 52 (10) ◽  
pp. 5291-5298 ◽  
Author(s):  
R. C. Benson ◽  
W. H. Flygare
Keyword(s):  
Magnetic Susceptibility ◽  
Ethylene Oxide ◽  
Dimethyl Ether ◽  
Dimethyl Sulfide ◽  
Zeeman Effect

scholarly journals The Molecular Zeeman Effect of Imines. I. Methanimine, its Molecular g-Tensor, its Magnetic Susceptibility Anisotropies, its Molecular Electric Quadrupole Moment, its Electric Field Gradient at the Nitrogen Nucleus, and its Nitrogen Spin-Rotation Coupling

1989 ◽  
Vol 44 (11) ◽  
pp. 1063-1078 ◽  
Author(s):  
H. Krause ◽  
D. H. Sutter
Keyword(s):  
Magnetic Susceptibility ◽  
Zeeman Effect ◽  
Electric Quadrupole ◽  
Spin Rotation ◽  
Coupling Constants ◽  
Zero Field ◽  
Quadrupole Moments ◽  
Magnetic Susceptibility Tensor ◽  
State Expectation ◽  
The Individual

Abstract The rotational Zeeman effect has been observed in methanimine which was produced from ethylenediamine by flash pyrolysis. The observed vibronic ground state expectation values of the molecular g-values, the magnetic susceptibility anisotropies and the molecular electric quadrupole moments are: gaa = -1.27099(22), gbb= -0.18975(7), gcc= -0.03440(8), 2ξaa-ξbb-ξcc = 12.49(19) · 10-6 ergG-2mol-1, 2ξbb-ξcc-ξaa = 5.22(11) · 10-6 ergG-2 mol-1 Qaa = 0.43(17) · 10-26esu cm2, Qbb= 1.08(10) · 10-26 esu cm2, and Qcc= -1.51 (26) . 10-26 esu cm2. With the TZVP ab initio value for the out-off plane electronic second moment as additional input, reliable values can be given also for the individual components of the magnetic susceptibility tensor and for the bulk susceptibility:ξ = (ξaa + ξbb + ξcc)/3=-13.13(88) · 10-6 erg G -2 mol-1. From low-J a-and b-type zero field transitions the spin-rotation coupling constants and the 14N nuclear quadrupole coupling constants could be redetermined with improved accuracy. These data are compared with our new theoretical results.

Coordination of silicon tetrafluoride with alicyclic ethers and dimethyl ether

1968 ◽  
Vol 46 (6) ◽  
pp. 987-993 ◽  
Author(s):  
J. P. Guertin ◽  
M. Onyszchuk
Keyword(s):  
Ethylene Oxide ◽  
Dimethyl Ether ◽  
Condensed Phase ◽  
Silicon Tetrafluoride ◽  
Relative Order ◽  
Trimethylene Oxide

Tensimetric titrations at −78° of silicon tetrafluoride with ethylene oxide, trimethylene oxide, tetrahydrofuran, tetrahydropyran, and dimethyl ether prove the formation of only 1:2 complexes, SiF4•2-(ether). All are unstable at 25° and either dissociate completely, as do SiF4•2(CH2)4O, SiF4•2(CH2)5O, and SiF4•2(CH3)2O, or decompose into SiF4 and a polymethylene oxide polymer, as do SiF4•2(CH2)2O and SiF4•2(CH2)3O. Silicon tetrafluoride does not coordinate with 1,4-dioxane in the range −94 to 25° and less than 1 atm pressure. Condensed phase heats of dissociation of SiF4•2(ether) complexes follow the order (CH2)3O > (CH2)4O > (CH2)5O ≥ (CH2)2O > (CH3)2O, which suggests that this is the relative order of basicities towards SiF4.

scholarly journals The Rotational Zeeman Effect in Fluorobenzene and the Molecular Quadrupole Moment in Benzene

1982 ◽  
Vol 37 (10) ◽  
pp. 1165-1175 ◽  
Author(s):  
W. H. Stolze ◽  
M. Stolze ◽  
D. Hübner ◽  
D. H. Sutter
Keyword(s):  
Magnetic Susceptibility ◽  
Carbon Tetrachloride ◽  
Quadrupole Moment ◽  
Ring Current ◽  
Zeeman Effect ◽  
Electric Quadrupole ◽  
Quadrupole Moments ◽  
Electric Quadrupole Moment ◽  
Microwave Spectrometer ◽  
Out Of Plane

The rotational Zeeman effect in fluorobenzene is reinvestigated with a resolution improved by a factor of almost five to give more accurate g-tensor elements, magnetic susceptibility anisotropics and molecular electric quadrupole moments. The results fit into the pictures of a linear dependence of the out of plane molecular electric quadrupole moment, Qcc, on the number of fluorine substituents and of a linear correlation between the nonlocal (ring current) susceptibility, Χccnonlocal, and the CNDO/2-π-electron density alternation. They lead to a gasphase molecular electric quadrupole moment in benzene, Qcc,benzene = - (28.4 ± 4.7) · 10-40 Cm2 which is slightly less negative than the value deduced from electric field-gradient birefringence experiments on dilute benzene solutions with carbon tetrachloride as solvent. A detailed description of the high resolution microwave spectrometer is given in the appendix.

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