Literature DB >> 21904767

Can an eight π-electron bare ring be planar?

Gerardo Martinez-Guajardo1, Zeferino Gómez-Saldoval, Daniel F Jana, Patrizia Calaminici, Clemence Corminboeuf, Gabriel Merino.   

Abstract

Here we explore in silico an alternative to make planar eight π-electron bare ring systems with substitutions of some cyclooctatetraene ring carbon atoms by heavier group 14 elements. We found that the most stable eight membered rings with formulae C(4)Si(4)H(8), C(4)Ge(4)H(8), and C(4)Sn(4)H(8) have a perfect planar structure, enhancing delocalization energy as compared to cot.

Entities:  

Year:  2011        PMID: 21904767     DOI: 10.1039/c1cp22415h

Source DB:  PubMed          Journal:  Phys Chem Chem Phys        ISSN: 1463-9076            Impact factor:   3.676


  3 in total

1.  A comparative study of the aromaticity of pyrrole, furan, thiophene, and their aza-derivatives.

Authors:  Kalbinur Najmidin; Ablikim Kerim; Paruza Abdirishit; Horigul Kalam; Tursungul Tawar
Journal:  J Mol Model       Date:  2013-05-29       Impact factor: 1.810

2.  From pure C₃₆ fullerene to cagelike nanocluster: a density functional study.

Authors:  Shu-Wei Tang; Feng-Di Wang; Yu-Han Li; Fang Wang; Shao-Bin Yang; Hao Sun; Ying-Fei Chang; Rong-Shun Wang
Journal:  J Mol Model       Date:  2013-11-22       Impact factor: 1.810

3.  Planar ten-membered 10-π-electron aromatic (CH)5(XH)5 {X = Ge, Sn} systems.

Authors:  Sukanta Mondal; Pallavi Sarkar; Alvaro Muñoz-Castro
Journal:  J Mol Model       Date:  2018-08-31       Impact factor: 1.810

  3 in total

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