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Barón, M.; Medrano, J.A.; Ferraro, M.; Buep, A.H. "Unexpected chirality in trans-1,4-dicyanocyclohexane" (1988) Journal of Molecular Structure. 172(C):355-367
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Abstract:

The experimental non-zero dipole moment of trans-1,4-dicyanocyclohexane was verified through a procedure little sensitive to solute/solvent interactions. This value cannot be explained on the basis of the generally accepted centrosymmetry for trans-1,4-derivatives of cyclohexane. NMR data of both this compound and its C-1, C-4 di-deuteroderivative, as well as semi-empirical theoretical calculations with the MNDO methods show that besides a centro-symmetric form there are also low energy stable non-centrosymmetric geometries. The latter exist as a helical deformation that can account for the non-zero value of the experimental dipole moment. © 1988.

Registro:

Documento: Artículo
Título:Unexpected chirality in trans-1,4-dicyanocyclohexane
Autor:Barón, M.; Medrano, J.A.; Ferraro, M.; Buep, A.H.
Filiación:Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Pabellon 1- Ciudad Universitaria-Nunez, 1428 Buenos Aires, Argentina
Año:1988
Volumen:172
Número:C
Página de inicio:355
Página de fin:367
DOI: http://dx.doi.org/10.1016/0022-2860(88)87028-5
Título revista:Journal of Molecular Structure
Título revista abreviado:J. Mol. Struct.
ISSN:00222860
CODEN:JMOSB
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00222860_v172_nC_p355_Baron

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Citas:

---------- APA ----------
Barón, M., Medrano, J.A., Ferraro, M. & Buep, A.H. (1988) . Unexpected chirality in trans-1,4-dicyanocyclohexane. Journal of Molecular Structure, 172(C), 355-367.
http://dx.doi.org/10.1016/0022-2860(88)87028-5
---------- CHICAGO ----------
Barón, M., Medrano, J.A., Ferraro, M., Buep, A.H. "Unexpected chirality in trans-1,4-dicyanocyclohexane" . Journal of Molecular Structure 172, no. C (1988) : 355-367.
http://dx.doi.org/10.1016/0022-2860(88)87028-5
---------- MLA ----------
Barón, M., Medrano, J.A., Ferraro, M., Buep, A.H. "Unexpected chirality in trans-1,4-dicyanocyclohexane" . Journal of Molecular Structure, vol. 172, no. C, 1988, pp. 355-367.
http://dx.doi.org/10.1016/0022-2860(88)87028-5
---------- VANCOUVER ----------
Barón, M., Medrano, J.A., Ferraro, M., Buep, A.H. Unexpected chirality in trans-1,4-dicyanocyclohexane. J. Mol. Struct. 1988;172(C):355-367.
http://dx.doi.org/10.1016/0022-2860(88)87028-5