49 research outputs found
Hexacyclo[7.1.0.0\u3csup\u3e1,3\u3c/sup\u3e.0\u3csup\u3e3,5\u3c/sup\u3e.0\u3csup\u3e5,7\u3c/sup\u3e.0\u3csup\u3e7,9\u3c/sup\u3e]decane, or Pentagramane: High-Level Computational Studies on a Novel Hydrocarbon
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