Dipole moments, Kerr constants and solution-state conformations of di(pyridin-4-yl), di(pyridin-3-yl) and di(pyridin-2-yl) ketone

1980 ◽  
Vol 33 (12) ◽  
pp. 2597 ◽  
Author(s):  
PH Gore ◽  
IG John ◽  
RK Pierens ◽  
GLD Ritchie
Keyword(s):  
Carbon Tetrachloride ◽  
Dipole Moments ◽  
Strong Preference ◽  
Trans Conformation ◽  
Solution State ◽  
Kerr Constants

Experimental dipole moments and molar Kerr constants are reported and analysed for di(pyridin-4-yl), di(pyridin-3-yl) and di(pyridin-2-yl) ketone as solutes in carbon tetrachloride or cyclohexane at 298 K. The preferred conformation of di(pyridin-4-yl) ketone is found to be very similar to those previously deduced for benzophenone and several 4,4'- disubstituted benzophenones. For di(pyridin-3-yl) and di(pyridin-2-yl) ketone three analogous conrotatory structures having different relative dispositions of the nitrogen atoms are considered. In the case of di(pyridin-3-yl) ketone the cis-trans and trans-trans arrangements are approximately equally abundant, but for di(pyridin-2-yl) ketone there is a strong preference for the trans-trans conformation.

Dipole Moments, Kerr Constants and Solute Conformations of the Aryl Methyl Sulfones p-XC6H4S(02)CH3 (X = H, Cl, BR or NO2)

1987 ◽  
Vol 40 (3) ◽  
pp. 619 ◽  
Author(s):  
MJ Aroney ◽  
RJW LeFevre ◽  
RK Pierens ◽  
HJ Stootman ◽  
MGM Yong
Keyword(s):  
Experimental Data ◽  
Carbon Tetrachloride ◽  
Infinite Dilution ◽  
Dipole Moments ◽  
Solution State ◽  
Dimethyl Sulfone ◽  
Kerr Constants ◽  
Aryl Methyl

Measurements are reported of the infinite-dilution dipole moments and molar Kerr constants of dimethyl sulfone and of the four aryl methyl sulfones p-XC6H4S(02)CH3 (X = H, Cl, Br or NO2) dissolved in carbon tetrachloride or dioxan at 298 K and under light of 589 nm. The experimental data are analysed to obtain information on the solution-state conformations in relation to steric and electromeric effects operative between the aryl and methanesulfonyl groups.

The electric birefringences and conformations of some phenylsilanes

1980 ◽  
Vol 33 (11) ◽  
pp. 2343 ◽  
Author(s):  
RS Armstrong ◽  
MJ Aroney ◽  
BS Higgs ◽  
KR Skamp
Keyword(s):  
Carbon Tetrachloride ◽  
Electric Dipole ◽  
Dipole Moments ◽  
Electric Dipole Moments ◽  
Solution State ◽  
Kerr Constants

Electric dipole moments and molar Kerr constants are reported for Ph3SiH, Ph3SiCl, (Ph3Si)2O, Ph2SiH2, Ph2SiMe2 and Ph2SiCl2 as solutes in carbon tetrachloride or cyclohexane solution at 298 K. The data are analysed in terms of the preferred solution-state conformations.

Dipole moments, Kerr constants and solution-state conformations of 1- and 2-pivaloylnaphthalene

1982 ◽  
Vol 35 (11) ◽  
pp. 2341 ◽  
Author(s):  
D Mirarchi ◽  
GLD Ritchie
Keyword(s):  
Carbon Tetrachloride ◽  
Infinite Dilution ◽  
Dipole Moments ◽  
Dihedral Angles ◽  
Solution State ◽  
Kerr Constants

Infinite-dilution dipole moments (1030p/Cm) and molar Kerr constants (1027mK/m5 V-2 mol-1) for 1-pivaloylnaphthalene (8.83,-490) and 2-pivaloylnaphthalene (9.24, 218) as solutes in carbon tetrachloride at 25�C are reported and analysed to yield the dihedral angles between the Car-CO-C and naphthyl planes as 90 � 10� and 53 � 8�, respectively.

The conformations of some organic carbonates

1981 ◽  
Vol 34 (2) ◽  
pp. 349 ◽  
Author(s):  
LHL Chia ◽  
KJ Kwan ◽  
HH Huang
Keyword(s):  
Experimental Data ◽  
Carbon Tetrachloride ◽  
Electric Dipole ◽  
Dimethyl Carbonate ◽  
Dipole Moments ◽  
Diphenyl Carbonate ◽  
Diethyl Carbonate ◽  
Electric Dipole Moments ◽  
Organic Carbonates ◽  
Kerr Constants

Electric dipole moments and molar Kerr constants are reported for seven organic carbonates (dimethyl carbonate, diethyl carbonate, vinylene carbonate, diphenyl carbonate, di-p-tolyl carbonate, di-o- tolyl carbonate and t-butyl phenyl carbonate) examined as solutes in carbon tetrachloride at 25�. The experimental data are analysed to provide information on the probable solution-state conformations.

Conformations of vinyl formate and vinyl acetate

1976 ◽  
Vol 29 (3) ◽  
pp. 581 ◽  
Author(s):  
MJ Aroney ◽  
EAW Bruce ◽  
IG John ◽  
L Radom ◽  
GLD Ritchie
Keyword(s):  
Carbon Tetrachloride ◽  
Ab Initio ◽  
Gas Phase ◽  
Vinyl Acetate ◽  
Molecular Orbital ◽  
Dipole Moments ◽  
Molecular Orbital Theory ◽  
Orbital Theory ◽  
Theoretical Predictions ◽  
Kerr Constants

Ab initio molecular orbital theory has been used to deduce the preferred gas-phase conformations of vinyl formate and vinyl acetate. In addition, experimental dipole moments (1030μ/Cm) and molar Kerr constants (1027mK/m5 V-2 mol-1) at 25�C are reported for both molecules as solutes in carbon tetrachloride: vinyl formate (5.07, + 48.1) and vinyl acetate (5.70, + 3.8). The preferred solution-state conformations indicated by the analysis of these results are shown to be consistent with the theoretical predictions.

Conformations of some 4- and 4,4'-Di-substituted benzophenones

1980 ◽  
Vol 33 (10) ◽  
pp. 2181 ◽  
Author(s):  
PH Gore ◽  
IG John ◽  
GLD Ritchie
Keyword(s):  
Carbon Tetrachloride ◽  
Dipole Moments ◽  
Steric Effects ◽  
Minor Role ◽  
Conformational Preferences ◽  
A Minor ◽  
Kerr Constants

Experimental dipole moments and molar Kerr constants are reported for eight 4- and 4,4?-halogeno- and -methyl-benzophenones as solutes in carbon tetrachloride at 298 K. Analysis of the results elucidates the conformational preferences of these molecules and suggests that steric effects are of predominant importance, whereas the additional conjugative interactions provided by the substituents apparently play only a minor role.

Conformations of Di(4-pyridyl) disulphide and Di(2-pyridyl) disulphide

1973 ◽  
Vol 26 (8) ◽  
pp. 1785 ◽  
Author(s):  
CL Cheng ◽  
GLD Ritchie
Keyword(s):  
Carbon Tetrachloride ◽  
Dipole Moments ◽  
Analysis Of Results ◽  
Kerr Constants

Experimental dipole moments and molar Kerr constants at 25�C are reported for di(4-pyridyl) disulphide (1.68 D, + 11 x 10-12 e.s.u. mol-1) and di(2-pyridyl) disulphide (3.95 D, -240x10-12 e.s.u. mol-1) as solutes in carbon tetrachloride. Analysis of results yields information concerning the preferred conformations of these molecules.

The molar Kerr constants, apparent dipole moments, etc., of alkyl nitrites as solutes

1968 ◽  
Vol 21 (8) ◽  
pp. 1965
Author(s):  
FRJW Le ◽  
RK Pierens ◽  
DV Radford ◽  
KD Steel
Keyword(s):  
Carbon Tetrachloride ◽  
Dipole Moments ◽  
Alkyl Nitrites ◽  
Dissolved Species ◽  
Kerr Constants

The apparent dipole moments of ten, and the apparent molar Kerr constants of seven, alkyl nitrites as solutes in carbon tetrachloride at 25� are recorded and discussed in terms of assumptions that the dissolved species are either (a) mixtures of two planar forms in which the R-O and K=O bonds have an s-cis : s-trans relationship, or (b) mixtures of many non-planar rotamers, definable by angles of twist 4 between the planes containing the R-O and S=O units. On basis (b) the observed properties are average values, theoretically predictable only when potential energies as functions of � become known. "Effective" conformations for MeO-N=O and Me3CO-N=O having � values of 98� and 146.5� can be inferred from the ∞(mK2) values found for these esters.

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