Table 5.

Key Transitions and Oscillator and Rotatory Strengths of Conformer 2a1 at the B3LYP/6–31G** Level in the GasPhase.

transition	ΔEa(eV)	λb(nm)	fc	Rve1d	R1ene
203→204	3.47	357	0.063	11.2	13.3
202→205	3.86	321	0.044	−11.0	−19.2
201→204	3.92	316	0.013	−22.6	−24.3
202→206	4.24	292	0.075	−35.9	−39.9
199→204	4.60	270	0.277	−55.0	−56.8
197→205	4.67	266	0.019	−16.0	−17.9
198→206	4.98	249	0.035	−2.5	−12.7
202→208	5.00	248	0.088	44.0	44.8
197→206	5.10	243	0.038	51.8	56.6
192→205	5.22	237	0.014	−15.0	−17.7
200→208	5.32	233	0.149	23.7	39.0
190→206	5.480	226.3	0.017	−20.9	−21.9
194→205	5.483	226.1	0.012	−15.3	−15.3
191→204	5.50	225	0.012	−14.0	−13.6

^aExcitation energy.

^bWavelength.

^cOscillator strength.

^dRotatory strength in velocity form (10⁻⁴⁰ cgs).

^eRotatory strength in length form (10⁻⁴⁰ cgs).