Synthesis, crystal structure and optical properties of Me(OH)(HCOO)2 (Me = Al, Ga). Issue 19 (25th April 2018)

• Record Type: Journal Article
• Authors: Krasil'nikov, V. N.; Tyutyunnik, A. P.; Baklanova, I. V.; Enyashin, A. N.; Berger, I. F.; Zubkov, V. G.
• Is Part Of: CrystEngComm. Volume 20:Issue 19(2018)
• Page Start: 2741
• Page End: 2748
• Publication Date: 2018-04-25
• Subjects: Crystals -- Periodicals; Crystal growth -- Periodicals; Crystallography -- Periodicals; Cristaux -- Périodiques; Cristaux -- Croissance -- Périodiques; Cristallographie -- Périodiques; 548
• DOI: 10.1039/c8ce00309b
• Languages: English
• ISSNs: 1466-8033

Abstract

Abstract : Aluminium and gallium hydroxide diformates have been synthesized. Both compounds exhibit similar monoclinic lattice, according to the X-ray, neutron diffraction and IR spectroscopy data. Their samples possess a bright light-blue emission under UV excitation. The origin of intrinsic emission is elucidated by means of DFT calculations. Abstract : The formation conditions, crystal structure and luminescence properties of aluminum and gallium hydroxide diformates, Me(OH)(HCOO)2, have been established. Both compounds crystallize in a monoclinic lattice (space group C 2, #5 and Z = 8) with parameters: a = 8.8629(2) Å, b = 9.9890(2) Å, c = 10.2411(1) Å, β = 106.223(1)°, and V = 870.56(3) Å 3 (Al) and a = 8.8746(1) Å, b = 10.3291(1) Å, c = 10.27870(9) Å, β = 105.7565(6)°, and V = 906.81(2) Å 3 (Ga). The emission spectra of Me(OH)(HCOO)2 under UV excitation with wavelength λ = 285 nm exhibit maxima in the range of 440–470 nm. The emission accompanied by light-blue luminescence is greatly enhanced when going from the aluminum to the gallium compound. The origin of intrinsic emission centers responsible for the luminescence properties of Me(OH)(HCOO)2 is suggested and the higher emission of the gallium hydroxide diformate is substantiated by means of density-functional theory calculations.