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. 2016 Jul 5;113(29):8115–8120. doi: 10.1073/pnas.1517189113

Table S4.

Vtr, Vtr(be), and Vtr(dae) for the polynorbornyl bridged model compounds with n = 1, 2 (see Fig. 2C for the molecular structures) with parallel D, A C=C bond fragments

Number of bridge units Vtr, eV Vtr(be), eV Vtr(dae), eV
n = 1 1.13×101 5.89×102 4.36×102
n = 2 2.39×102 2.01×102 2.70×103

For these computations the energy gaps were lowered compared to their values in Table S3 (main text).