| Literature DB >> 18781725 |
Abstract
The ring strain energies in a series of [ n]ladderanes (n = 3-8) have been calculated by using high-level ab initio method (G3MP2//B3LYP-6-31G*) and the series of isodesmic, homodesmotic, and protobranching compensated reactions. The results show that various four-member rings incorporated into the ladderane chain have different strain energies and that the total strain in a ladderane molecule is smaller than the corresponding sum of strain energies of the cyclobutane rings.Entities:
Year: 2008 PMID: 18781725 DOI: 10.1021/jp805377c
Source DB: PubMed Journal: J Phys Chem A ISSN: 1089-5639 Impact factor: 2.781