The dipole moments of some unsaturated sulphones

Baliah, Vuppalapaty; Shanmuganathan, Sp.

doi:10.1039/tf9595500232

Cited by 4 publications

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“…The non-availability of dipole moment data on the geometrical isomers of ct,/~unsaturated sulphides and sulphones prompted us to undertake the present study. Baliah and Shanmuganathan (1959) studied the dipole moments of some ~,fl-and flj-unsaturated sulphones but their study included only a few trans ~,fl-unsaturated sulphones. The scope of the present study includes (i) determining whether the sulphide function conjugates with the styryl group as an electron-donor or as an electronacceptor, and (ii) estimating the magnitude of the differences between the dipole moments of cis and trans isomers and determining the steric and polar factors which cause these differences.…”

Section: Introductionmentioning

confidence: 99%

Dipole moments of arylcis- andtrans-styryl sulphides and sulphones

Baliah

Rathinasamy

1991

Proc. Indian Acad. Sci. (Chem. Sci.)

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The dipole moments of thirteen aryl styryl sulphides and eleven aryl styryl sulphones have been determined. Among them are eight cis-trans isomeric pairs, four sulphides and four sulphones, The styryl group is found to conjugate with the sulphide function as an electron-withdrawing group. The angles which the styrylthio and styrylsulphonyl groups make with their axes of rotation are calculated. The observed dipole moments of the sulphides and sulphones are compared with the moments calculated by the vector addition of group moments. The dipole moments of cis aryl styryl sulphides and sulphones are found to be generally lower than those of their trans isomers. An explanation is offered attributing the cause to sterically enhanced styryl-sulphur conjugation in the cis isomers. Keywords. Dipole moments; aryl cis-and trans-styryl sulphides and sulphones; styryl-sulphur conjugation; styryl-sulphonyl conjugation; steric enhancement of conjugation.

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Section: Introductionmentioning

confidence: 99%

Dipole moments of arylcis- andtrans-styryl sulphides and sulphones

Baliah

Rathinasamy

1991

Proc. Indian Acad. Sci. (Chem. Sci.)

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Photoelektronenspektren und Moleküleigenschaften, XLV. Schwefelsäure‐Derivate : Alkyl‐, Vinyl‐ und Arylsulfone, Alkylsulfoimide und Sulfurylhalogenide

1975

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Die Photoelektronen(PE)-Spektren der folgenden Schwefelsaure-Derivate werden mit quali-Y = 0; X = CII3, CII=CHz, CsH,, F, C1 4 Xz = CHz-CHz, CHzCH=CIICHz, C~H,-CGH, XZS\ Y = NH; X = CH, tativen MO-Modellen, gestutzt auf modifizierte CNDO-Rechnungen, vergleichend diskutiert. Die Substituenten-Effekteden isoelektronischen Austausch S = O --f S=NH und Strukturanderungen eingeschlossenlassen sich in Korrelationsdiagrammen zusammenfassen und als Storungen der >SO2-Gruppe betrachten. Photoelectron Spectra and Molecular Properties, XLV 12) Sulfuric Acid Derivatives &SdY : Alkyl, Vinyl, and Aryl Sulfones, S,S-Dialkylsulfoimides and Sulfuryl Halides The photoelectron (PE) spectra of the following sulfuric acid derivatives are discussed com-\Y Y = 0; X = CH,, CH=CHz, C&, F, C1 xzs: XZ = CHz-CHz, CHzCH=CHCH*, CsH4-CeH4 Y = N H ; X = C H , paratively using qualitative MO models supported by modified CNDO calculations. The substituent effectsincluding the isoelectronic exchange 'S=O 4 S=NH and structural modificationscan be summarized in correlation diagrams and rationalized as perturbations of the >SO2 group.Schwefelsaure-Derivate X2S( =Y)2 lassen sich aus denen der schwefligen Saure X2S =Y43 formal durch Oxidation des Schwefel-Elektronenpaares zu einer S=Y-Doppelbindung ableiten. Bei einer solchen Betrachtungsweise erhoht sich die Amah1

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Molecular mechanics calculations (MM3) on sulfones

Allinger

Fan

1993

J Comput Chem

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The structures of several sulfones, including dimethyl sulfone, methyl ethyl sulfone, methyl vinyl sulfone, and diphenyl sulfone, have been fit with the MM3 force field to existing experimental data from electron diffraction and microwave spectroscopy. The vibrational spectra have also been fit for six of these compounds. The torsional parameters for the aliphatic sulfones were fit to ab initio 6-31G data. Heats of formation were also fit.

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The dipole moments of some unsaturated sulphones

Cited by 4 publications

References 1 publication

Dipole moments of arylcis- andtrans-styryl sulphides and sulphones

Dipole moments of arylcis- andtrans-styryl sulphides and sulphones

Photoelektronenspektren und Moleküleigenschaften, XLV. Schwefelsäure‐Derivate : Alkyl‐, Vinyl‐ und Arylsulfone, Alkylsulfoimide und Sulfurylhalogenide

Molecular mechanics calculations (MM3) on sulfones

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