scholarly journals Relativistic Normal Coupled-Cluster Theory for Accurate Determination of Electric Dipole Moments of Atoms: First Application to the Hg199 Atom

2018 ◽  
Vol 120 (20) ◽  
Author(s):  
B. K. Sahoo ◽  
B. P. Das
Keyword(s):  
Electric Dipole ◽  
Dipole Moments ◽  
Accurate Determination ◽  
Coupled Cluster ◽  
Electric Dipole Moments ◽  
Coupled Cluster Theory ◽  
Cluster Theory ◽  
Atoms First

THE CONFORMATIONS OF THE DIASTEREOMERIC 2,5-DIMETHYL-2,5-DIMETHOXY-3,4-DIPHENYLHEXANES

1959 ◽  
Vol 37 (7) ◽  
pp. 1132-1145 ◽  
Author(s):  
Henry Sawatzky ◽  
George K. White ◽  
George F Wright
Keyword(s):  
Carbon Tetrachloride ◽  
Experimental Determination ◽  
Electric Dipole ◽  
Dipole Moments ◽  
Free Rotation ◽  
Electric Dipole Moments ◽  
Meso Form ◽  
The Moment ◽  
Increasing Temperature

The electric dipole moments of six possible rotamers comprising the two diastereomeric forms of 2,5-dimethyl-2,5-dimethoxy-3,4-diphenylhexane have been calculated vectorially. Comparison of these values with the experimental determination of polarization in benzene and carbon tetrachloride shows that only two of the rotamers of the dd,ll form and only one of the meso form are present in significant amount. The moment of the dd,ll diastereomer decreases with increasing temperature but that of the meso form is almost invariant. It is probable that all six central linkages in these diastereomers are hindered from free rotation.

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