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Synthesis, Characterization, and Computational Studies of Cycloparaphenylene Dimers

✍ Scribed by Xia, Jianlong; Golder, Matthew R.; Foster, Michael E.; Wong, Bryan M.; Jasti, Ramesh

Book ID
118027990
Publisher
American Chemical Society
Year
2012
Tongue
English
Weight
494 KB
Volume
134
Category
Article
ISSN
0002-7863

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## Abstract In this study, 14 norbornadiene (NBD) dimers and the thermal dimerization mechanism were studied using the hybrid density functional theory (B3LYP) and the second‐order multiconfigurational perturbation theory (CASPT2). In the process of dimerization, the biradical stationary points wer