Open AccessBorane Polyhedra as Building Blocks for Unknown but Potentially Isolatable New Molecules – Extensions based on Computations of the Known B18H22 Isomers
Author(s) -
Josep M. Oliva,
Juanjo Rué,
John D. Kennedy,
Vladimir R. Rosenfeld
Publication year - 2013
Publication title -
croatica chemica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.214
H-Index - 50
eISSN - 1334-417X
pISSN - 0011-1643
DOI - 10.5562/cca2304
Subject(s) - polyhedron , borane , computation , molecule , chemistry , computational chemistry , computer science , mathematics , organic chemistry , combinatorics , algorithm , catalysis
Known borane polyhedral cluster characteristics can be used for predicting new architectural constructs. We propose additional structures derived from B18H22 : three positional isomers different from the well-known anti-B18H22 and syn-B18H22 boranes. We have also derived two new cyclic structures based on the condensation of borane pentagonal pyramids and bipyramids. Borane polyhedral concatenation of molecules is also considered from a mathematical point of view.Postprint (author's final draft