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Article Dans Une Revue Journal of Organometallic Chemistry Année : 2022

Isomer-selective dative bond O -> M (M = Si, Ge) for designing new photochromic hemi-indigo systems

Résumé

New photochromic systems MY2X-HI (M = Si, Ge) were designed (at the DFT level of theory) by replacing the hydrogen atom in the nitrogen of the pyrrole ring of hemi-indigo, HI, with silyl- or germyl-substituents. The E isomers of MY2X-HI contain a dative bond O -> M (pentacoordinated atom M) both in the ground S-0 and in the excited S-1 states. This leads to a significant difference in the absorption and fluorescence maxima (lambda(fl) - lambda(abs)) of the Z and E forms of hypervalent hemi-indigos; this difference is more than twice that of the parent HI. There is a trend to increasing separation of first pi ->pi* absorption bands of the E and Z isomers of MY2X-HI with the increase in their relative stability.
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Dates et versions

hal-03512458 , version 1 (15-02-2023)

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Paternité - Pas d'utilisation commerciale

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Evgeniya P. Doronina, Viatcheslav Jouikov, Elena F. Belogolova, Valery F. Sidorkin. Isomer-selective dative bond O -> M (M = Si, Ge) for designing new photochromic hemi-indigo systems. Journal of Organometallic Chemistry, 2022, 958, pp.122189. ⟨10.1016/j.jorganchem.2021.122189⟩. ⟨hal-03512458⟩
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