Luminescent Properties of [UO2(TFA)2(DMSO)3], a Promising Material for Sensing and Monitoring the Uranyl Ion

Martín-Ramos, Pablo; Costa, Ana L.; Silva, Manuela Ramos; Pereira, Laura C. J.; Silva, Pedro S. Pereira da; Melo, J. Sergio Seixas de; Martín-Gil, Jesús

doi:10.1590/1980-5373-MR-2015-0448

Pablo Martín-Ramos ^**e-mail: pmr@unizar.es

Escuela Politécnica Superior de Huesca – EPSH, Universidad de Zaragoza – UNIZAR, Carretera de Cuarte s/n, 22071, Huesca, Spain.

Centro de Física da Universidade de Coimbra – CFisUC, Department of Physics, Universidade de Coimbra – UC, Rua Larga, P-3004-516, Coimbra, Portugal.

Ana L. Costa

Centro de Química de Coimbra – CQC, Department of Chemistry, Universidade de Coimbra – UC, Rua Larga, P-3004-535, Coimbra, Portugal.

Manuela Ramos Silva

Centro de Física da Universidade de Coimbra – CFisUC, Department of Physics, Universidade de Coimbra – UC, Rua Larga, P-3004-516, Coimbra, Portugal.

Laura C. J. Pereira

Centro de Ciências e Tecnologias Nucleares – C2TN, Instituto Superior Técnico – IST, Universidade de Lisboa – ULISBOA, 2695-066, Bobadela LRS, Portugal.

Pedro S. Pereira da Silva

Centro de Física da Universidade de Coimbra – CFisUC, Department of Physics, Universidade de Coimbra – UC, Rua Larga, P-3004-516, Coimbra, Portugal.

J. Sergio Seixas de Melo

Centro de Química de Coimbra – CQC, Department of Chemistry, Universidade de Coimbra – UC, Rua Larga, P-3004-535, Coimbra, Portugal.

Jesús Martín-Gil

Advanced Materials Laboratory, Escuela Técnica Superior de Ingenierías Agrarias – ETSIIAA, University of Valladolid – UVa, Avenida de Madrid 44, 34004, Palencia, Spain

*e-mail: pmr@unizar.es

Complex		[UO₂(TFA)₂(DMSO)₃]
Empirical formula		C₁₀H₁₈F₆O₉S₃U
Formula weight		730.45
Temperature (K)		293(3)
Wavelength (Å)		0.71073
Crystal system		Orthorhombic
Space group		Pbca
a(Å)		14.8559(13)
b(Å)		13.6663(11)
c(Å)		21.8881(18)
α(º)		90.00
β(º)		90.00
γ(º)		90.00
Volume (Å³)		4443.8(6)
Z		8
Calculated density (g cm^-3)		2.184
Absorption coefficient (mm^-1)		7.673
F(000)		2752
θ range for data collection		2.23-25.94
Index ranges (º)		-18<h<18; -16<k<16; -26<l<26
Reflections collected		87413
Independent reflections		4299
Completeness to 2θ=51º		0.990
Refinement method		Full matrix LS on F²
Data/restrains/parameters		4299/63/263
Goodness-of-fit on F²		1.023
FinalR indices [I>2σ(I)]		R=0.0891; wR=0.2475
Rindices (all data)		R=0.1985; wR=0.3397
Largest diff. peak and hole		-2.854/2.237

Wavenumber (cm^-1)	Main assignation	Alternative assignation
3017	CH₃ asymmetric stretching vibration
2930	CH₃ symmetric stretching vibration
2358	Overtone of 1179 cm^-1
1683	COO^- asymmetric stretching
1587	Overtone of 792 cm^-1
1418	COO^- symmetric stretching	CH₃ symmetric bending vibration
1179	CF stretching vibrations
1029	S=O stretching
985	C-S
935	v₃O=U=O asymmetric stretching vibration	COO^- waging
907	v₃O=U=O asymmetric stretching vibration	C-C stretching
833	ν₁O=U=O symmetric stretching vibration	COO- rocking
792	ν₁O=U=O symmetric stretching vibration	C-C stretching // C-S stretching
603	TFA
459	U-O vibrations
432	U-O vibrations

[1] *e-mail: pmr@unizar.es

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Luminescent Properties of [UO₂(TFA)₂(DMSO)₃], a Promising Material for Sensing and Monitoring the Uranyl Ion