Artículo
Barbiric, D.J.; De Rossi, R.H.; Castro, E.A. "Inclusion complexes of 1:2 stoichiometry between azobenzenes and cyclodextrins: A molecular mechanics study" (2001) Journal of Molecular Structure: THEOCHEM. 537(1):235-243
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Abstract:
We analyze theoretically the stabilization process when several azobenzenes form complexes of 1:2 stoichiometry starting from simple 1:1 associations instead of three isolated molecules. We resort to molecular mechanics calculations using the modified version of MM2 and applying some geometrical restrictions. Results are compared with experimental data and a satisfactory enough agreement is found between both data sources. © 2001 Elsevier Science B.V.
Registro:
| Documento: | Artículo |
| Título: | Inclusion complexes of 1:2 stoichiometry between azobenzenes and cyclodextrins: A molecular mechanics study |
| Autor: | Barbiric, D.J.; De Rossi, R.H.; Castro, E.A. |
| Filiación: | Facultad de Ciencias Exactas, Fisicas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Núez, 1428 Buenos Aires, Argentina Departamento de Química Orgánica, Facultad de Ciencias Químicas, Ciudad Universitaria, C.C. 61, 5016 Córdoba, Argentina CEQUINOR, UNLP, C.C. 962, 1900 La Plata, Argentina |
| Palabras clave: | Azobenzenes; Cyclodextrins; Inclusion complexes; azobenzene derivative; cyclodextrin; article; calculation; complex formation; energy; mechanics; stoichiometry |
| Año: | 2001 |
| Volumen: | 537 |
| Número: | 1 |
| Página de inicio: | 235 |
| Página de fin: | 243 |
| DOI: | http://dx.doi.org/10.1016/S0166-1280(00)00680-1 |
| Título revista: | Journal of Molecular Structure: THEOCHEM |
| Título revista abreviado: | J. Mol. Struct. THEOCHEM |
| ISSN: | 01661280 |
| CODEN: | THEOD |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01661280_v537_n1_p235_Barbiric |
Referencias:
- D'Souza, V.T., Lipkowitz, K.B., (1998) Cyclodextrins, Chem. Rev., 98 (5)
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- Asano, T., Okada, T., (1984) J. Org. Chem., 49, p. 4387
- Sánchez, A.M., De Rossi, R.H., (1996) J. Org. Chem., 61, p. 3446
- Barbiric, D.J., De Rossi, R.H., Castro, E.A., submitted for publication; Burkert, U., Allinger, N., (1982), ACS Monograph, vol. 177, American Chemical Society, Washington, DC; Allinger, N.L., Yuh, Y.H., QCPE Program No. 395 - Indiana University, Bloomington, IN, USA; (1993) Hyperchem (release 3 for Windows), , Hypercube Inc., Autodesk Inc
- Ohashi, M., Kasatani, K., Shinohara, H., Sato, H., (1990) J. Am. Chem. Soc., 112, p. 5824
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Citas:
---------- APA ----------
Barbiric, D.J., De Rossi, R.H. & Castro, E.A. (2001) . Inclusion complexes of 1:2 stoichiometry between azobenzenes and cyclodextrins: A molecular mechanics study. Journal of Molecular Structure: THEOCHEM, 537(1), 235-243.http://dx.doi.org/10.1016/S0166-1280(00)00680-1
---------- CHICAGO ----------
Barbiric, D.J., De Rossi, R.H., Castro, E.A. "Inclusion complexes of 1:2 stoichiometry between azobenzenes and cyclodextrins: A molecular mechanics study" . Journal of Molecular Structure: THEOCHEM 537, no. 1 (2001) : 235-243.http://dx.doi.org/10.1016/S0166-1280(00)00680-1
---------- MLA ----------
Barbiric, D.J., De Rossi, R.H., Castro, E.A. "Inclusion complexes of 1:2 stoichiometry between azobenzenes and cyclodextrins: A molecular mechanics study" . Journal of Molecular Structure: THEOCHEM, vol. 537, no. 1, 2001, pp. 235-243.http://dx.doi.org/10.1016/S0166-1280(00)00680-1
---------- VANCOUVER ----------
Barbiric, D.J., De Rossi, R.H., Castro, E.A. Inclusion complexes of 1:2 stoichiometry between azobenzenes and cyclodextrins: A molecular mechanics study. J. Mol. Struct. THEOCHEM. 2001;537(1):235-243.http://dx.doi.org/10.1016/S0166-1280(00)00680-1
