7306-20-9Relevant academic research and scientific papers
1,1′-diphenyl-1,1′-bicyclopropyl and 1,1′-diphenyl-1,1′-bicyclobutyl
Lam, Yu-Lin,Koh, Lip-Lin,Huang, Hsing-Hua
, p. 397 - 400 (2007/10/03)
The molecules of 1,1′-diphenyl-1,1′-bicyclopropyl, C18H18, and 1,1′-diphenyl-1,1′-bicyclobutyl, C20H22, each possess a crystallographic centre of symmetry. Both molecules adopt the trans conformation. The cyclop
Thermolabile Hydrocarbons, XXV. Relationships between Thermal Stability, Strain, and Structure of 1,1'-Diphenyl-1,1'-bicycloalkyls
Bernloehr, Werner,Beckhaus, Hans-Dieter,Lindner, Hans-Joerg,Ruechardt, Christoph
, p. 3303 - 3319 (2007/10/02)
The products and activation parameters of the thermolysis reaction of the title hydrocarbons 1a (n = 4-8) and 1b (n = 12) were determined.Strain enthalpies and structural data of the compounds 1a and of the radicals 2a, which are generated on thermolysis, were obtained from force field calculations.For 1a (n = 8) a crystal structure analysis was carried out. - The importance of i-strain action is estimated from the relationship between ΔG% of the thermolysis reaction and the strain enthalpy of 1 from which the ring strain of the corresponding cycloalkane was substracted as a correction factor.In addition, a linear correlation between ΔG% and the change in strain enthalpy (MM2 results) in the course of the dissociation process was found.The large variation in ΔS% can be rationalized by consideration of the change in internal mobility (MM2 results) during the dissociation process.
