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C2 (2).docx (65.25 kB)
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C2: More complicated than it sounds

preprint
submitted on 24.01.2020 and posted on 27.01.2020 by Robson de Farias

The present work is another contribution to a better understanding of the chemical bond in C2. A density functional approach is employed, and the obtained results (bond distance and bond dissociation energy) agrees very well with the previously [2-4] valence bond results. The obtained results also points to a bond order of four, reinforcing previously obtained data [3]. Furthermore, based on the calculated IR and Raman spectra, is proposed that C2 exhibits, at an electronic level, an asymmetry, and that such molecule has not, in fact, a centre of inversion.

History

Email Address of Submitting Author

robdefarias@yahoo.com.br

Institution

UFRN

Country

Brazil

ORCID For Submitting Author

0000-0003-3132-7754

Declaration of Conflict of Interest

The is not any conflict of interest

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