Sharapa D, Hirsch A, Meyer B, Clark T (2015)
Publication Status: Published
Publication Type: Journal article
Publication year: 2015
Publisher: Wiley-Blackwell / Wiley-VCH Verlag
Book Volume: 16
Pages Range: 2165-2171
Journal Issue: 10
Ab initio and DFT calculations are used to investigate the structure, electronic properties, spectra and reactivity of cubic C-8, which is predicted to be aromatic according to Hirsch's rule. Although highly strained and with a small amount of diradical character, the carbon cube represents a surprisingly deep minimum and should therefore be observable as an isolated molecule. It is, however, predicted to be very reactive, both with itself and triplet oxygen. Calculated IR, Raman, and UV/Vis spectra are provided to aid identification of cubic C-8 should it be synthesized.
APA:
Sharapa, D., Hirsch, A., Meyer, B., & Clark, T. (2015). Cubic C-8: An Observable Allotrope of Carbon? ChemPhysChem, 16(10), 2165-2171. https://dx.doi.org/10.1002/cphc.201500230
MLA:
Sharapa, Dmitry, et al. "Cubic C-8: An Observable Allotrope of Carbon?" ChemPhysChem 16.10 (2015): 2165-2171.
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