Tuning Two-Photon Absorption in Rhodopsin Chromophore via Backbone Modification: The Story Told by CC2 and TD-DFT.

ABSTRACT: We investigate here a systematic way to tune two-photon transition strengths (δ^2PA) and two-photon absorption (2PA) cross sections (σ^2PA) of the rhodopsin's chromophore 11-cis-retinal protonated Schiff base (RPSB) via the modulation of the methyl groups pattern along its polyene chain. Our team employed the resolution of identity, coupled cluster approximate second order (RI-CC2) method with Dunning's aug-cc-pVDZ basis set, to determine the structural impact on δ^2PA, as well as its correlation to both transition dipole moments and permanent electric dipole moments. Seven structures were probed in vacuo, including five-double-bond-conjugated model of the native chromophore, shortened by the β-ionone ring (RPSB5), and its de/methylated analogues: 9-met

SUBMITTER: Sirimatayanant S 

PROVIDER: S-EPMC11428129 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature