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.

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.

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.

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.

Effects of p-substituents on the conformation of acetophenone

1981 ◽  
Vol 34 (7) ◽  
pp. 1443 ◽  
Author(s):  
D Mirarchi ◽  
GLD Ritchie
Keyword(s):  
Carbon Tetrachloride ◽  
Dihedral Angle ◽  
Infinite Dilution ◽  
Dipole Moments ◽  
Reported Data ◽  
Kerr Constants

Experimental dipole moments and infinite-dilution molar Kerr constants are reported for six p-substituted acetophenones (CH3COC6H4X; X = Me, But, NO2, CN, F, Br) as solutes in carbon tetrachloride at 298 K. Analysis of these results and reconsideration of previously reported data for acetophenone and p-chloroacetophenone yields the dihedral angle, Φ, between the planes of the carbonyl and aryl groups in the effective conformation of each molecule (X = H, Φ = 0°; Me, 0°; But, 10�10°; NO2, 20�15°; NO2, 20�20°; F, 27�5°; Cl, 32�5°; Br, 30�10°).

The molar kerr constants, dipole moments, and relaxation times of Methyl and Ethyl Maleates and fumarates, Ethyl Formate, Diethyl Oxalate, and of Ethyl and Propyl Azodiformates

1957 ◽  
Vol 10 (3) ◽  
pp. 218 ◽  
Author(s):  
CG Le Fevre ◽  
RJW Le Fevre ◽  
WT Oh
Keyword(s):  
Carbon Tetrachloride ◽  
Infinite Dilution ◽  
Dipole Moments ◽  
Azimuthal Angle ◽  
Relaxation Times ◽  
Ethyl Formate ◽  
The Other ◽  
Diethyl Oxalate ◽  
Negative Results ◽  
Kerr Constants

Values for the properties and compounds named in the title are recorded at infinite dilution in carbon tetrachloride at 25 �C. Dipole moments of the seven diesters lie between 2 2 and 2.8 D ; the molar Kerr constants of the two azodiformates however differ from those of the maleates, fumarates, and oxalate in being negative. Results with ethyl oxalate are consistent with a structure in which the two ?CO2Et groups are in planes making an azimuthal angle c. 90�. Indications of configurations for the other esters are discussed, but conclusions are indefinite.

Molecular polarizability. The dipole moments, molar Kerr constants, and conformations of some dialkyl and diaryl disulphides

1968 ◽  
Vol 21 (2) ◽  
pp. 281 ◽  
Author(s):  
MJ Aroney ◽  
RJW Le Fevre ◽  
. Pierens.R.K ◽  
HLK The
Keyword(s):  
Experimental Data ◽  
Carbon Tetrachloride ◽  
Dipole Moments ◽  
Molecular Polarizability ◽  
Dihedral Angles ◽  
Aryl Group ◽  
Carbon Tetrachloride Solution ◽  
Dimethyl Disulphide ◽  
Kerr Constants

Dipole moments and molar Kerr constants are reported for five organic disulphides R2S2 (where R is methyl, t-butyl, phenyl, p-chlorophenyl, and β-naphthyl)in carbon tetrachloride solution. The experimental data are analysed to show (a) that each molecule has a skew structure with dihedral angles in the range 88-85� between the planes C?-S-S and S-S-C"; (b) that the anisotropic electron polarizabilities of the S-S group in dimethyl disulphide are bL = 4.66 �3, bT = bv = 2.25 �3; and (c) that in the aromatic disulphides the aryl group planes are nearly coplanar with their respective Car-S-S groups.

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.

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