Theoretical Studies of Dynamic Interactions in Excited States of Hydrogen-Bonded Systems

Table 1

Calculated wavelengths of electronic transitions to the three lowest allowed [1] (𝜋, 𝜋^∗) states of benzoic acid dimer.

Electronic state	Experiment [16, 18]	CIS/6-311++G(d,p)	CIS(D)/6-311++G(d,p)
S1 (Bu)	280 nm (35724 cm^−1)	214 nm	248 nm
S2 (Bu)	230 nm	211 nm	204 nm
S3 (Au)	190 nm	178 nm	182 nm