Title

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

Document Type

Article

Publication Date

2008

Publication Title

Journal of Physical Organic 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

Volume

21

Issue

5