Effect of Initial Orientation on the Laser-Induced Cycloaddition Reaction of Benzene and Ethylene

Table 1

Energies and geometries of both synchronous and synchronous [2 + 2] photocycloaddition reactions.

Structure	Energy/eV	C1–C7/Å	C2–C8/Å	C2–C1–C7–C8/°
(syn)	0	3.49	3.61	38.2
(asyn)	0.07	3.22	3.42	−23.6
FC (syn)	4.98	—	—	—
FC (asyn)	4.99	—	—	—
CI (syn)	5.76	2.10	2.06	15.2
CI (asyn)	4.77	1.56	2.66	−38.8