A 3D supramolecular framework assembled via π⋅⋅⋅π interactions and CH⋅⋅⋅Cl hydrogen-bonds with second-harmonic generation response - Details

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A　three-dimensional　(3D)　supramolecular　framework　[CuII2Cl3(tpen)]2⋅[CuIICl4]　(1)　(tpen　=　N,N,N＇,N＇-tetra(2-pyridylmethyl)　ethylenediamine)　assembled　from　[CuII2Cl3(tpen)]+　and　[CuIICl4]2–　via　π⋅⋅⋅π　interactions　and　CH⋅⋅⋅Cl　hydrogen-bonds　has　been　obtained　by　solvothermal　synthesis.　The　π-stacked　supramolecular　layers　of　the　[CuII2Cl3(tpen)]+　ions　are　connected　by　the　[CuIICl4]2–　anions　in　a　distorted　tetrahedral　geometry　to　form　a　3D　architecture　via　CH⋅⋅⋅Cl　hydrogen-bonds.　Due　to　the　helical　alignment　of　the　[CuII2Cl3(tpen)]+　and　the　oriented　[CuIICl4]2–,　compound　1　crystallizes　in　the　tetragonal　non-centrosymmetric　(NCS)　space　group　P–421/c.　The　compound　shows　a　moderate　band-gap　of　2.48　eV　and　a　UV　cutoff　edge　of　420　nm.　For　the　NCS　structure　of　compound　1,　a　phase-matchable　second　harmonic　generation　(SHG)　response　of　~0.009　times　that　of　KH2PO4　(KDP)　was　observed.　©　2021　Elsevier　B.V.

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Chlorine compounds Energy gap Harmonic analysis Harmonic generation Hydrogen bonds Nonlinear optics Supramolecular chemistry

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[ 1 ] [Cao, Xue-Li]School of Chemistry, Fuzhou University, Fuzhou; 350108, China
[ 2 ] [Cao, Xue-Li]CAS Key Laboratory of Design and Assembly of Functional Nanostructures, and Fujian Provincial Key Laboratory of Nanomaterials, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou; 350002, China
[ 3 ] [Cao, Xue-Li]Xiamen Institute of Rare Earth Materials, Haixi Institutes, Chinese Academy of Sciences, Xiamen; 361021, China
[ 4 ] [Liu, Yang]CAS Key Laboratory of Design and Assembly of Functional Nanostructures, and Fujian Provincial Key Laboratory of Nanomaterials, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou; 350002, China
[ 5 ] [Liu, Yang]Xiamen Institute of Rare Earth Materials, Haixi Institutes, Chinese Academy of Sciences, Xiamen; 361021, China
[ 6 ] [Li, Guo-Ling]CAS Key Laboratory of Design and Assembly of Functional Nanostructures, and Fujian Provincial Key Laboratory of Nanomaterials, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou; 350002, China
[ 7 ] [Li, Guo-Ling]Xiamen Institute of Rare Earth Materials, Haixi Institutes, Chinese Academy of Sciences, Xiamen; 361021, China
[ 8 ] [Lu, Zi-Xiu]CAS Key Laboratory of Design and Assembly of Functional Nanostructures, and Fujian Provincial Key Laboratory of Nanomaterials, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou; 350002, China
[ 9 ] [Lu, Zi-Xiu]Xiamen Institute of Rare Earth Materials, Haixi Institutes, Chinese Academy of Sciences, Xiamen; 361021, China
[ 10 ] [Li, Shun]CAS Key Laboratory of Design and Assembly of Functional Nanostructures, and Fujian Provincial Key Laboratory of Nanomaterials, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou; 350002, China
[ 11 ] [Li, Shun]Xiamen Institute of Rare Earth Materials, Haixi Institutes, Chinese Academy of Sciences, Xiamen; 361021, China
[ 12 ] [Cao, Zhong-Min]CAS Key Laboratory of Design and Assembly of Functional Nanostructures, and Fujian Provincial Key Laboratory of Nanomaterials, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou; 350002, China
[ 13 ] [Cao, Zhong-Min]Xiamen Institute of Rare Earth Materials, Haixi Institutes, Chinese Academy of Sciences, Xiamen; 361021, China
[ 14 ] [Huang, You-Gui]CAS Key Laboratory of Design and Assembly of Functional Nanostructures, and Fujian Provincial Key Laboratory of Nanomaterials, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou; 350002, China
[ 15 ] [Huang, You-Gui]Xiamen Institute of Rare Earth Materials, Haixi Institutes, Chinese Academy of Sciences, Xiamen; 361021, China

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Source ：

Journal of Molecular Structure

ISSN： 0022-2860

Year： 2021

Volume： 1244

3 . 8 4 1

JCR@2021

4 . 0 0 0

JCR@2023

ESI HC Threshold：117

JCR Journal Grade：3

CAS Journal Grade：4

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WoS CC Cited Count：

SCOPUS Cited Count： 1

ESI Highly Cited Papers on the List： 0 Unfold All

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Chinese Cited Count：

30 Days PV： 0

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