"Hexacyclo[7.1.0.01,3.03,5.05,7.07,9]decane, or Pentagramane: High-Level Computational Studies on a Novel Hydrocarbon" by David W. Ball

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Article

Hexacyclo[7.1.0.01,3.03,5.05,7.07,9]decane, or Pentagramane: High-Level Computational Studies on a Novel Hydrocarbon

Journal of Physical Organic Chemistry

David W. Ball, Cleveland State University

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Document Type

Article

Publication Date

1-1-2008

Disciplines

Organic Chemistry and
Physical Chemistry

Abstract

A novel hydrocarbon whose line diagram is that of the classic pentagram is described. High-level computational studies have been performed to determine its structure, vibrational frequencies, NMR spectra, and thermochemistry.

DOI

10.1002/poc.1360

Citation Information

Ball, D. W. Hexacyclo[7.1.0.01,3.03,5.05,7.07,9]decane, or pentagramane: high-level computational studies on a novel hydrocarbon. Journal of Physical Organic Chemistry 2008, 21, 387-392.