Ciampini, M.Elsey, G.Taylor, D.2007-02-252007-02-251997Tetrahedron Letters: the international journal for the rapid publication of all preliminary communications in organic chemistry, 1997; 53(13):4661-46680040-4039http://hdl.handle.net/2440/4891The semi-empirical molecular orbital method AM1 has been found to accurately reproduce both the structure and barrier to rotation in a wide variety of 9-substituted triptycenes. Additionally, the general trends observed for derivatives which display the 'negative buttressing effect' are also reproduced well.enTheoretical Barrier to Rotation in Substituted Triptycenes: A Semi-empirical and Ab Initio StudyJournal article003000288810.1016/S0040-4020(97)00135-XA1997WQ935000142-s2.0-003094066566894Taylor, D. [0000-0002-3302-4610] [0000-0002-4274-3983] [0000-0003-0633-7424]