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Tunable crystal structure and proton conductivity of lanthanide nitrilotrismethylphosphonates

Salcedo, Inés R.,Pérez-Colodrero, Rosario Mercedes,Hix, Gary B.,Cabeza-Díaz, Aurelio,Bazaga-García, Montse,Ramírez-Losilla, Enrique,Olivera-Pastor, Pascual

Abstract

Metal phosphonates are multifunctional solids with remarkable stability and proton conducting properties owing to their structure is usually composed of extended hydrogen-bond networks that favor proton transfer pathways [1]. Moreover, these properties can be enhanced by appropriate modification of the synthesis conditions [2, 3]. In this communication, a new family of isostructural 2D layered compounds based on lanthanide nitrilotris-methylphosphonates is reported. These compounds have been isolated at room temperature and have the general formula Ln[N(CH2)3(PO3H2)2(PO3H)(H2O)]SO4·2H2O (Ln= Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er and Yb). The coordination environment of Ln3+ is composed by eight oxygen atoms from three different ligands and two oxygens from bound waters. This connectivity creates positive charged layers connected to sulfate ions through hydrogen-bonds. These compounds show promising proton conductivity with values ranging between 7.6·10-2 and 3.8·10-2 S·cm-1 at 80 °C and 95% RH and low activation energy corresponding to Grotthuss-type proton transfer mechanism. In addition, a structural transformation occurs at T > 70 °C accompanied by a remarkable enhanced conductivity. Studies on the structure-properties relationships will be discussed.

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Tunable c ys al s uc u e and p o on conduc i i y o lan hanide ni ilo is- me hylphosphona es. Inés R. Salcedo1, Au elio Cabeza 1, Mon se Bazaga-Ga cía1, Rosa io M. P. Colod e o2, Ga y Hix2, En ique R. Losilla1, Pascual Oli e a-Pas o 1. 1. Depa amen o Química Ino gánica, C is alog a ía y Mine alogía. Facul ad de Ciencias. Uni e sidad de Málaga. Málaga, Spain 2. Wol e hamp on School o Sciences. Facul y o Science and Enginee ing. Uni e si y o Wol e hamp on. Wol e hamp on, Uni ed Kingdom. email: [email p o ec ed] Me al phosphona es a e mul i unc ional solids wi h ema kable s abili y and p o on conduc ing p ope ies owing o hei s uc u e is usually composed o ex ended hyd ogen-bond ne wo ks ha a o p o on ans e pa hways [1]. Mo eo e , hese p ope ies can be enhanced by app op ia e modi ica ion o he syn hesis condi ions [2, 3]. In his communica ion, a new amily o isos uc u al 2D laye ed compounds based on lan hanide ni ilo is-me hylphosphona es is epo ed. These compounds ha e been isola ed a oom empe a u e and ha e he gene al o mula Ln[N(CH2)3(PO3H2)2(PO3H)(H2O)]SO4·2H2O (Ln= P , Nd, Sm, Eu, Gd, Tb, Dy, Ho, E and Yb). The coo dina ion en i onmen o Ln3+ is composed by eigh oxygen a oms om h ee di e en ligands and wo oxygens om bound wa e s. This connec i i y c ea es posi i e cha ged laye s connec ed o sul a e ions h ough hyd ogen-bonds. These compounds show p omising p o on conduc i i y wi h alues anging be ween 7.6·10-2 and 3.8·10-2 S·cm-1 a 80 °C and 95% RH and low ac i a ion ene gy co esponding o G o huss- ype p o on ans e mechanism. In addi ion, a s uc u al ans o ma ion occu s a T > 70 °C accompanied by a ema kable enhanced conduc i i y. S udies on he s uc u e-p ope ies ela ionships will be discussed. Re e ences: [1] Me al phosphona e Chemis y: om syn hesis o applica ions. 1s ed., edi ed by A. Clea ield, K. D. Demadis, RSC-Publishing, Camb idge. [2] M. Bazaga-Ga cía, G. K. Angeli, K. E. Papa hanasiou, I. R. Salcedo, P. Oli e a- Pas o , E. R. Losilla, D. Choquesillo-Laza e, Ga y B. Hix, A. Cabeza, K. Demadis. (2016). Ino ganic Chemis y, 55, 7414-7424. [3] A. Cabeza, P. Oli e a-Pas o , R. M. P. Colod e o. (2015). Tailo ed O ganic- Ino ganic Ma e ials. Eds. E. B une , J. L. Colón, A. Clea ield. Ed. John Wiley & Sons, Inc. Ch. 4, 137-191. Keywo ds: me al phosphona es, p o on conduc i i y, c ys al s uc u e.