Supramolecular structures of NiII and CuII with the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions

Shiryaev, A.A.; Burkhanova, T.M.; Mitoraj, M.P.; Kukulka, M.; Sagan, F.; Mahmoudi, G.; Babashkina, M.G.; Bolte, M.; Safin, D.A.

doi:10.1107/S2052252521000610

Figure 8
Isosurfaces (±0.04 a.u.) of dominant NTO (natural transition orbital) pairs for the selected excited states of [Ni(L^I)₂] along with the percentage weights of hole–particle, corresponding S₀ → S₁ transition wavelengths and oscillator strengths (f). HOTO = highest occupied transition orbital, LUTO = lowest occupied transition orbital.

IUCrJ

Volume 8| Part 3| May 2021| Pages 351-361

ISSN: 2052-2525

https://doi.org/10.1107/S2052252521000610

CHEMISTRY | CRYSTENG

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