Fullerenes C36 n (n=0,2+,2-) and their B- and N-doped analogues

Chen Z, Jiao H, Hirsch A, Thiel W (2000)

Publication Type: Journal article, Original article

Publication year: 2000

Journal

Chemical Physics Letters Elsevier

Original Authors: Chen Z., Jiao H., Hirsch A., Thiel W.

Publisher: Elsevier

Book Volume: 329

Pages Range: 47-51

URI: https://www.scopus.com/record/display.uri?eid=2-s2.0-0002441139&origin=inward

Abstract

The small fullerenes, C(n=0,2+,2-) and their heteroanalogues (CN, CB, CNandCB) have been investigated at the density functional B3LYP/6-31G* level of theory. The aromaticity of these systems was characterized systematically by using the computed nucleus independent chemical shifts values at the cage center and also at the center of individual rings. The hydrogenation product, CH, may be experimentally observable considering the calculated strain energy. © 2000 Elsevier Science B.V.

Authors with CRIS profile

Andreas Hirsch Lehrstuhl für Organische Chemie II

Involved external institutions

Max-Planck-Institut für Kohlenforschung (MPI KoFo) / Max Planck Institute for Coal Research DE Germany (DE)

How to cite

APA:

Chen, Z., Jiao, H., Hirsch, A., & Thiel, W. (2000). Fullerenes C36 n (n=0,2+,2-) and their B- and N-doped analogues. Chemical Physics Letters, 329, 47-51.

MLA:

Chen, Zhongfang, et al. "Fullerenes C36 n (n=0,2+,2-) and their B- and N-doped analogues." Chemical Physics Letters 329 (2000): 47-51.

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