Meares, Adam; Yu, Zhanqian; Viswanathan Bhagavathy, Ganga; Satraitis, Andrius; Ptaszek, Marcin published the artcile< Photoisomerization of enediynyl linker leads to slipped cofacial hydroporphyrin dyads with strong through-bond and through-space electronic interactions>, Computed Properties of 112-63-0, the main research area is cis trans photoisomerization porphyrin enediynyl conjugation.
Photoisomerization of 3,4-di(methoxycarbonyl)-enediyne linker in hydroporphyrin (chlorin or bacteriochlorin) dyads leads to thermally stable cis isomers, where macrocycles adopt a slipped cofacial mutual geometry with an edge-to-edge distance of ∼3.6 Å (determined by d. functional theory (DFT) calculations). Absorption spectra exhibit a significant splitting of the long-wavelength Qy band, which indicates a strong electronic coupling with a strength of V = ∼477 cm-1 that increases to 725 cm-1 upon metalation of hydroporphyrins. Each dyad features a broad, structureless emission band, with large Stokes shift, which is indicative of excimer formation. DFT calculations for dyads show both strong through-bond electronic coupling and through-space electronic interactions, due to the overlap of π-orbitals. Overall, geometry, electronic structure, strength of electronic interactions, and optical properties of reported dyads closely resemble those observed for photosynthetic special pairs. Dyads reported here represent a novel type of photoactive arrays with various modes of electronic interactions between chromophores. Combining through-bond and through-space coupling appears to be a viable strategy to engineer novel optical and photochem. properties in organic conjugated materials.
Journal of Organic Chemistry published new progress about Cis-trans photoisomerization. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Computed Properties of 112-63-0.
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics