Chemical Physics Letters, Vol.511, No.4-6, 277-282, 2011
Theoretical study of [n]ivyanes, n=2-8
Using quantum mechanical calculations we investigate the structural, spectroscopic, and mechanical properties of ivyanes, a novel family of helical hydrocarbons recently synthesized by Sherburn's group [1]. The Young elastic modulus is predicted to be 1.92 GPa, which is about thirty times smaller than that computed for the alpha-helix. (C) 2011 Elsevier B. V. All rights reserved.