Rydberg state, delocalized

The bright states of the vertical excitation spectrum of 2-phenylfuran in gas phase are reported in Table 3. The full set of vertical transitions up to 7.4 eV is reported in Table SI of the Online Resource 1. The first two transitions are into a bright and a dark excimer states at 4.66 and 4.98 eV, respectively. The experimental band maximum in this region is at 4.55 eV in hexanes [16] and at 4.44 eV in methanol [45]. After a series of dark transitions into Rydberg states, a second band is characterized by a local nn excitation within the benzene ring (5.98 eV) and a nn excitation delocalized over the whole molecule. A very... 

Atomic orbitals of s and p type (see Basis Sets Correlation Consistent Sets) with small exponents, added for the description of highly delocalized electron densities or Rydberg states (as found in, e.g., anions). 

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