Picosecond time-resolved absorption measurements on the excited singlet state of biphenylene

Samanta, Anunay; Devadoss, Chelladurai; Fessenden, Richard W.

doi:10.1016/0009-2614(90)87070-8

Cited by 6 publications

(1 citation statement)

References 27 publications

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“…In sharp contrast, the adiabatic excitation to the first singlet π–π* state leads to a Baird‐aromatic 12 π electron ring, illustrated by the equalized carbon—carbon bond DORI domains in the periphery. This result is in line with Baird's rules and previous experimental and computational studies (see also the exhaustive review), which ascribe an aromatic character to excited‐state biphenylene and related molecules . The structural rearrangement is pronounced, but the pure electronic effects visible upon vertical excitation are non‐negligible, especially in the region of large π density (see Figure S2 in the Supporting Information).…”

Section: Resultssupporting

confidence: 90%

Visualizing and Quantifying Interactions in the Excited State

Vannay

Brémond

Silva

et al. 2016

Chemistry A European J

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Determining the location and nature of the electron pairs within a molecule provides an intuitive representation of electronic structures. Yet, most of the available theoretical representations are not suitable for describing excited state phenomena. The density overlap region indicator (DORI) scalar field, which depends only on the density and its derivatives, overcomes previous limitations, while keeping the intuitiveness of popular scalar fields. Here, its usefulness is demonstrated by pinpointing visual and numerical DORI signatures for both intra- and intermolecular excited state situations.

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Section: Resultssupporting

confidence: 90%