Solvent-controlled syntheses of mixed-alkali-metal borates exhibiting UV nonlinear optical properties

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dc.contributor.authorWu, Chao
dc.contributor.authorLi, Longhua
dc.contributor.authorSong, Junling
dc.contributor.authorYang, Gang
dc.contributor.authorHumphrey, Mark
dc.contributor.authorZhang, Chi
dc.date.accessioned2021-09-20T01:51:01Z
dc.date.issued2017
dc.date.updated2020-11-23T11:08:57Z
dc.description.abstractThe mixed-alkali-metal borates NaK(B5O8)(OH)·H2O (1), NaK6[(B4O5)(OH)4]3(OH)·C2H5OH (2) and Na0.33K1.67(B4O5)(OH)4·3H2O (3) have been solvothermally synthesized using various polar organic solvents. Compounds 1 and 2 crystallize in the centrosymmetric space groups P1 and R3c, respectively. The structure of 1 features a 2D-layered framework constructed by [B5O11]7- primary building units in the ab plane, extending to a 3D framework linked by K+ and Na+ cations, while the structure of 2 can be described as isolated [B4O9]6- primary building units connected by H-bonding interactions and K-O and Na-O bonds, forming a 3D supramolecular framework. Compound 3 crystallizes in the acentric space group P62c, and its UV nonlinear optical properties have been investigated for the first time. Second-harmonic generation (SHG) measurements show that 3 is type-I phase-matching, with a moderate SHG response ca. 0.94 times that of KH2PO4. The cut-off edge of 3 is 242 nm, which suggests that 3 is a potential UV NLO material. Density functional theory calculations have been employed on 3 to rationalize its band structure and electron density as well as the density of statesen_AU
dc.description.sponsorshipThis research was financially supported by the National Natural Science Foundation of China (no. 51432006, 50925207, and 51172100), the Ministry of Science and Technology of China (no. 2011DFG52970), the Ministry of Education of China for the Changjiang Innovation Research Team (no. IRT13R24), and the Ministry of Education and the State Administration of Foreign Experts Affairs for the 111 Project (no. B13025). M. G. H. and C. Z. thank the Australian Research Council for support.en_AU
dc.format.mimetypeapplication/pdfen_AU
dc.identifier.issn2052-1545en_AU
dc.identifier.urihttp://hdl.handle.net/1885/248219
dc.language.isoen_AUen_AU
dc.provenancehttps://v2.sherpa.ac.uk/id/publication/35576?template=romeo..."The Accepted Version can be archived in a Non-Commercial Institutional Repository. 12 months embargo" from SHERPA/RoMEO site (as at 23/09/2021).
dc.publisherRoyal Society of Chemistryen_AU
dc.rights© the Partner Organisations 2017en_AU
dc.sourceInorganic Chemistry Frontiersen_AU
dc.titleSolvent-controlled syntheses of mixed-alkali-metal borates exhibiting UV nonlinear optical propertiesen_AU
dc.typeJournal articleen_AU
dcterms.accessRightsOpen Access
local.bibliographicCitation.issue4en_AU
local.bibliographicCitation.lastpage700en_AU
local.bibliographicCitation.startpage692en_AU
local.contributor.affiliationWu, Chao, Jiangnan Universityen_AU
local.contributor.affiliationLi, Longhua, Jiangsu Universityen_AU
local.contributor.affiliationSong, Junling, Jiangnan Universityen_AU
local.contributor.affiliationYang, Gang, Jiangnan Universityen_AU
local.contributor.affiliationHumphrey, Mark, College of Science, ANUen_AU
local.contributor.affiliationZhang, Chi, College of Science, ANUen_AU
local.contributor.authoremailu9400918@anu.edu.auen_AU
local.contributor.authoruidHumphrey, Mark, u9400918en_AU
local.contributor.authoruidZhang, Chi, u4950630en_AU
local.description.notesImported from ARIESen_AU
local.identifier.absfor020503 - Nonlinear Optics and Spectroscopyen_AU
local.identifier.absfor030302 - Nanochemistry and Supramolecular Chemistryen_AU
local.identifier.ariespublicationa383154xPUB5766en_AU
local.identifier.citationvolume4en_AU
local.identifier.doi10.1039/c7qi00001den_AU
local.identifier.essn2052-1553en_AU
local.identifier.scopusID2-s2.0-85017541937
local.identifier.thomsonID000399196000013
local.identifier.uidSubmittedBya383154en_AU
local.publisher.urlhttps://www.rsc.orgen_AU
local.type.statusAccepted Versionen_AU

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