Ring Strain in [n]ladderanes

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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.
Original languageEnglish
Pages (from-to)10059-10063
Number of pages5
JournalJournal of Physical Chemistry A
Volume112
Issue number40
DOIs
Publication statusPublished - 2008

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