Abstract:
A topological analysis of two model systems in which different C-H⋯O hydrogen bonds exist is performed in order to characterize them. It is found that it is necessary to analyze the topological properties of the acceptor atom involved in the hydrogen bond since several parameters are qualitatively different in both complexes. This behaviour seems to suggest a way of identifying these bonds. © 1997 Elsevier Science B.V.
Registro:
Documento: |
Artículo
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Título: | Topological analysis of hydrogen bonding interactions involving C-H...O bonds |
Autor: | Sosa, G.L.; Peruchena, N.; Contreras, R.H.; Castro, E.A. |
Filiación: | Fac. Cie. Exact. Nat. y Agrimensura, Universidad Nacional del Nordeste, Corrientes, Argentina Departamento de Física, Fac. de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Pabellón 1, 1428 Buenos Aires, Argentina CEQUINOR, Departamento de Química, Universidad Nacional de la Plata, Calle 47 y 115, C.C. 962, 1900 La Plata, Argentina
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Palabras clave: | Hydrogen bonding; Topological analysis |
Año: | 1997
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Volumen: | 401
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Número: | 1-2
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Página de inicio: | 77
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Página de fin: | 85
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DOI: |
http://dx.doi.org/10.1016/S0166-1280(96)05032-4 |
Título revista: | Journal of Molecular Structure: THEOCHEM
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Título revista abreviado: | J. Mol. Struct. THEOCHEM
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ISSN: | 01661280
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CODEN: | THEOD
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Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01661280_v401_n1-2_p77_Sosa |
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Citas:
---------- APA ----------
Sosa, G.L., Peruchena, N., Contreras, R.H. & Castro, E.A.
(1997)
. Topological analysis of hydrogen bonding interactions involving C-H...O bonds. Journal of Molecular Structure: THEOCHEM, 401(1-2), 77-85.
http://dx.doi.org/10.1016/S0166-1280(96)05032-4---------- CHICAGO ----------
Sosa, G.L., Peruchena, N., Contreras, R.H., Castro, E.A.
"Topological analysis of hydrogen bonding interactions involving C-H...O bonds"
. Journal of Molecular Structure: THEOCHEM 401, no. 1-2
(1997) : 77-85.
http://dx.doi.org/10.1016/S0166-1280(96)05032-4---------- MLA ----------
Sosa, G.L., Peruchena, N., Contreras, R.H., Castro, E.A.
"Topological analysis of hydrogen bonding interactions involving C-H...O bonds"
. Journal of Molecular Structure: THEOCHEM, vol. 401, no. 1-2, 1997, pp. 77-85.
http://dx.doi.org/10.1016/S0166-1280(96)05032-4---------- VANCOUVER ----------
Sosa, G.L., Peruchena, N., Contreras, R.H., Castro, E.A. Topological analysis of hydrogen bonding interactions involving C-H...O bonds. J. Mol. Struct. THEOCHEM. 1997;401(1-2):77-85.
http://dx.doi.org/10.1016/S0166-1280(96)05032-4