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Effect of spin–phonon interactions on Urbach tails in flexible [M2(bdc)2(dabco)]

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Abstract

The optical properties of metal–organic frameworks [M2(bdc)2(dabco)] (M = Co, Ni, Cu, Zn) in the wavelength region of 300–1000 nm were studied, and the electronic band-to-band transitions were determined and characterized by the Kubelka–Munk approach and DFT calculations. Urbach edges for band-to-band transitions were determined. The effect of spin–phonon interactions on the width of Urbach edges in paramagnetic [M2(bdc)2(dabco)] is discussed. The obtained data may be useful to interpret polymerization, hybridization, and catalytic reactions in [M2(bdc)2(dabco)] pores and to design electronic and optical devices.

Graphical abstract: Effect of spin–phonon interactions on Urbach tails in flexible [M2(bdc)2(dabco)]

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Article information


Submitted
10 Apr 2020
Accepted
15 Jun 2020
First published
15 Jun 2020

Phys. Chem. Chem. Phys., 2020, Advance Article
Article type
Paper

Effect of spin–phonon interactions on Urbach tails in flexible [M2(bdc)2(dabco)]

S. G. Kozlova, M. R. Ryzhikov, V. R. Shayapov and D. G. Samsonenko, Phys. Chem. Chem. Phys., 2020, Advance Article , DOI: 10.1039/D0CP01944E

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