Impact of nitro and amino functional groups on the intercalation of isophthalic acid in ZnAl layered double hydroxides:An experimental and theoretical studyOA
This study explores the effects of nitro(-NO_(2))an d amino(-NH_(2))functional groups on the intercalation of isophthalic acid(IPA)into ZnAl layered double hydroxide(LDH)through experimen tal and theoretical approaches.ZnAl LDHs intercalated with IP A,5-aminoisophthalic acid(AIPA)and 5-nitroisophthalic acid(NIPA)were synthesized via the co-precipitation method.Experimental results revealed different ion-exchange behavior reflected on loading and release properties.UV-Vis analysis determined the loading capacity sequence as NIPA≥AIPA>IPA,while release kinetics in NaCl solution followed AIPA>IPA>NIPA.Density functional theory(DFT)simulations highlighted deprotonated carboxylic groups on the benzene rings as primary binding sites,and the affinity of species to the interlayers was estimated as NIPA^(2-)>AIPA^(2-)>IPA^(2-).The interlayer arrangements are proposed considering the interlayer distances,interaction sites,surface area per charge,density deviations and patterns of intercalates in its natural crystal structures.The results reveal that the functional groups significantly influence the interlayer structure of species in the LDH.The addition of-NO_(2)group stabilizes the species via interaction with hydroxide layers,while the-NH_(2)renders AIPA less stable in the interlayer due to its electron accepting nature which containing two positively charged hydrogen atoms.
Youmin Qiu;Maria Serdechnova;Carsten Blawert;Daniel Hoche;Aleksey Yaremchenko;Daniel Strerath;Yifeng Bi;Junjie Yang;Mikhail L.Zheludkevich
Institute of Surface Science,Helmholtz-Zentrum Hereon,Max-Planck-Straße 1,Geesthacht 21502,GermanyInstitute of Surface Science,Helmholtz-Zentrum Hereon,Max-Planck-Straße 1,Geesthacht 21502,GermanyInstitute of Surface Science,Helmholtz-Zentrum Hereon,Max-Planck-Straße 1,Geesthacht 21502,GermanyInstitute of Surface Science,Helmholtz-Zentrum Hereon,Max-Planck-Straße 1,Geesthacht 21502,GermanyCICECO-Aveiro Institute of Materials,Department of Materials and Ceramics Engineering,University of Aveiro,3810-193,Aveiro,PortugalInstitute of Metallic Biomaterials,Helmholtz-Zentrum Hereon,Max-Planck-Straße 1,Geesthacht 21502,GermanyInstitute of Advanced Wear&Corrosion Resistant and Functional Materials,Jinan University,Guangzhou 510632,ChinaInstitute of Advanced Wear&Corrosion Resistant and Functional Materials,Jinan University,Guangzhou 510632,ChinaInstitute of Surface Science,Helmholtz-Zentrum Hereon,Max-Planck-Straße 1,Geesthacht 21502,Germany Faculty of Engineering,CAU Kiel University,Kaiserstraße 2,24143,Kiel,Germany
化学化工
Layered double hydroxideInterlayer structureIsophthalic acid derivativesDensity functional theory
《Nano Materials Science》 2026 (4)
P.817-828,12
China Scholarship Council for the award of fellowship and funding(No.202206780003)financial support within the project CICECO-Aveiro Institute of Materials(UIDB/50011/2020(DOI 10.54499/UIDB/50011/2020),UIDP/50011/2020(DOI 10.54499/UIDP/50011/2020)&LA/P/0006/2020(DOI 10.54499/LA/P/0006/2020))financed by national funds through the FCT/MCTES(PIDDAC)the financial support by National Natural Science Foundation of China(No.52101084)Guangdong Basic and Applied Basic Research Foundation(Nos.2023A1515011579 and 2024A1515030004)。
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