Calculated binding energies and spectroscopic properties of C70 dimers are presented. The two most stable isomers of the set of conceivable [2 + 2] cycloaddition products are isoenergetic, and both are compatible with NMR, infrared, and Raman data on the product recently synthesized by Lebedkin et al.
|Number of pages||4|
|Journal||Journal of Physical Chemistry A|
|Publication status||Published - 2001 Feb 22|
All Science Journal Classification (ASJC) codes
- Physical and Theoretical Chemistry