Table S1.

Total Dexter coupling and BE and DAE contributions of seven-bond folded alkanes (Fig. 2B)

Conformation	$V_{\text{tr}},$ eV	$V_{\text{tr}}^{\left(\text{be}\right)},$ eV	$V_{\text{tr}}^{\left(\text{dae}\right)},$ eV
Conf1	$5.07\times {10}^{-7}$	$1.10\times {10}^{-6}$	$1.25\times {10}^{-6}$
Conf2	$8.90\times {10}^{-7}$	$9.36\times {10}^{-7}$	$1.48\times {10}^{-7}$
Conf3	$1.66\times {10}^{-5}$	$1.42\times {10}^{-6}$	$1.46\times {10}^{-5}$
Conf4	$2.06\times {10}^{-5}$	$9.77\times {10}^{-6}$	$1.38\times {10}^{-5}$
Conf5	$4.47\times {10}^{-5}$	$1.27\times {10}^{-5}$	$2.89\times {10}^{-5}$