The inorganic analogues of carbo-benzene
Por:
Jalife S., Audiffred M., Islas R., Escalante S., Pan S., Chattaraj P.K., Merino G.
Publicada:
28 ago 2014
Resumen:
Inspired by carbo-benzene, we have analyzed in silico the stability of carbo-borazine (C12B3N3H6) and the iminobora-mer of borazine (B9N9H6). Both systems may be regarded as the inorganic analogues of carbo-benzene, being B9N9H6 the perfect case. Unlike aromatic carbo-benzene, C12B3N3H6 and B 9N9H6 can be classified as almost nonaromatic systems as indicated by the computed induced magnetic field. All these systems undergo dimerization very readily; therefore, they cannot be synthesized as such. However, akin to substituted carbo-benzene, the substitution of the hydrogen atom of C12B3N3H6 and B9N9H6 by other groups could stabilize them. © 2014 Elsevier B.V. All rights reserved.
Filiaciones:
Univ Nacl Autonoma Mexico, Fac Quim, Mexico City 04510, DF, Mexico
Departamento de Física Aplicada, Centro de Investigación y de Estudios Avanzados, Unidad Mérida, Km. 6 Antigua Carretera a Progreso, A.P. 73, Cordemex, Mérida 97310, Yucatán, Mexico
Jacobs University Bremen, Center of Functional Nanomaterials (NanoFun), Campus Ring 1, 28759 Bremen, Germany
Departamento de Ciencias Químicas, Facultad de Ciencias Exactas, Universidad Andrés Bello, Av. República 252, Santiago, Chile
Department of Chemistry, Centre for Theoretical Studies, Indian Institute of Technology, Kharagpur 721302, India
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