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Issue 6, 2016
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A series of s-block (Ca, Sr and Ba) metal–organic frameworks: synthesis and structure–property correlation

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Abstract

A series of metal–organic frameworks based on alkaline earth metal ions (Ca, Sr and Ba) and 1,3,5-benzenetribenzoic acid (BTB) have been synthesized and characterized. These are [H2N(CH3)2][Ca7(BTB)5(H2O)8(DMF)4]·4H2O (1), [H2N(CH3)2]2[Sr5(H2O)6(BTB)4] (2) and [H2N(CH3)2][Ba(H2O)(BTB)] (3). All the structures are three-dimensional in nature with different secondary building units. Compound 1 contains one-dimensional Ca–O–Ca zigzag chains while compound 2 contains Sr5O28 pentameric clusters and compound 3 contains one-dimensional Ba–O–Ba chains. Both compounds 1 and 3 form (3,6)-net connectivity while compound 2 forms (3,12)-net connectivity. Optical band gap energy measurements show that compound 1 (2.65 eV) has low band gap energy compared to 2 (3.22 eV) and 3 (3.32 eV). This variation in band gap energy may be due to the difference in structural arrangement. Compound 3 crystallizes in a non-centrosymmetric space group (Pna21), which belongs to the polar point group C2v. This compound displays a strong SHG response and good ferroelectric and piezoelectric properties.

Graphical abstract: A series of s-block (Ca, Sr and Ba) metal–organic frameworks: synthesis and structure–property correlation

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Publication details

The article was received on 12 Oct 2015, accepted on 01 Jan 2016 and first published on 06 Jan 2016


Article type: Paper
DOI: 10.1039/C5CE01995H
CrystEngComm, 2016,18, 1046-1053

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    A series of s-block (Ca, Sr and Ba) metal–organic frameworks: synthesis and structure–property correlation

    K. S. Asha, M. Makkitaya, A. Sirohi, L. Yadav, G. Sheet and S. Mandal, CrystEngComm, 2016, 18, 1046
    DOI: 10.1039/C5CE01995H

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