Determination of the Structure of the 1,2,4,7-a nti-Tetramethyl-2-norbornyl Cation: An AIM Study

While the molecular geometry of the 1,2,4,7-anti-tetramethyl-2-norbornyl cation (1), as reported previously from a crystal structure analysis, is reproduced nicely at the Becke3LYP/6-31G(d,p) level of theory, the conclusions drawn from that analysis about the molecular structure cannot be rationalized. The topology of the charge density of 1 is in keeping with a hyperconjugatively stabilized 2-norbornyl cation; 1 is not bridged and it does not …