Cubic C-8: An Observable Allotrope of Carbon?

Sharapa D, Hirsch A, Meyer B, Clark T (2015)


Publication Status: Published

Publication Type: Journal article

Publication year: 2015

Journal

Publisher: Wiley-Blackwell / Wiley-VCH Verlag

Book Volume: 16

Pages Range: 2165-2171

Journal Issue: 10

DOI: 10.1002/cphc.201500230

Abstract

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.

Authors with CRIS profile

How to cite

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.

BibTeX: Download