Diaminopyridine Hg(II)-based 1D supramolecular polymer: Crystallographic and computational insights into spodium bonding
A new Hg(II)-based one dimensional supramolecular polymer with a molecular formula of [(C5H3N(NH2)2Cl2Hg)]n (1) has been synthesized and characterized using microanalysis, FTIR, UV–Vis., multinuclear NMR and single crystal X-ray diffraction. The X-ray diffraction reveals initially a three coordinate...
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| Autor*in: |
Singh, Amita [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2022transfer abstract |
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| Übergeordnetes Werk: |
Enthalten in: Numerical analysis of wind turbines blade in deep dynamic stall - Karbasian, Hamid Reza ELSEVIER, 2022, Orlando, Fla |
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| Übergeordnetes Werk: |
volume:315 ; year:2022 ; pages:0 |
| Links: |
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| DOI / URN: |
10.1016/j.jssc.2022.123517 |
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| 520 | |a A new Hg(II)-based one dimensional supramolecular polymer with a molecular formula of [(C5H3N(NH2)2Cl2Hg)]n (1) has been synthesized and characterized using microanalysis, FTIR, UV–Vis., multinuclear NMR and single crystal X-ray diffraction. The X-ray diffraction reveals initially a three coordinated geometry around the Hg(II) centre, coordinated covalently with two non-coplanar chlorine atoms and one nitrogen atom of the 2,6-diamino pyridine ring. Furthermore, two more chlorine centers form a bridge between two Hg centers through the Hg⋯Cl spodium bond interaction to furnish a pseudo trigonal bipyramidal geometry (τ5 = 0.957) in a supramolecular polymer. The solid state architecture of the polymer is stabilised by different weak interactions and it also exhibit unconventional Hg⋯Cl spodium and Hg⋯H–N interactions. The nature of these interactions have been investigated using Hirshfeld surface analyses, density functional theory and quantum theory of atoms in molecules (QTAIM) studies. The emission studies for the compound in both solution and solid phase have also been executed. | ||
| 520 | |a A new Hg(II)-based one dimensional supramolecular polymer with a molecular formula of [(C5H3N(NH2)2Cl2Hg)]n (1) has been synthesized and characterized using microanalysis, FTIR, UV–Vis., multinuclear NMR and single crystal X-ray diffraction. The X-ray diffraction reveals initially a three coordinated geometry around the Hg(II) centre, coordinated covalently with two non-coplanar chlorine atoms and one nitrogen atom of the 2,6-diamino pyridine ring. Furthermore, two more chlorine centers form a bridge between two Hg centers through the Hg⋯Cl spodium bond interaction to furnish a pseudo trigonal bipyramidal geometry (τ5 = 0.957) in a supramolecular polymer. The solid state architecture of the polymer is stabilised by different weak interactions and it also exhibit unconventional Hg⋯Cl spodium and Hg⋯H–N interactions. The nature of these interactions have been investigated using Hirshfeld surface analyses, density functional theory and quantum theory of atoms in molecules (QTAIM) studies. The emission studies for the compound in both solution and solid phase have also been executed. | ||
| 650 | 7 | |a Supramolecular polymer |2 Elsevier | |
| 650 | 7 | |a Aggregation induced emission (AIE) |2 Elsevier | |
| 650 | 7 | |a Spodium bond interaction |2 Elsevier | |
| 650 | 7 | |a QTAIM |2 Elsevier | |
| 650 | 7 | |a Hirshfeld surface |2 Elsevier | |
| 700 | 1 | |a Kociok-Köhn, Gabriele |4 oth | |
| 700 | 1 | |a Dutta, Archisman |4 oth | |
| 700 | 1 | |a Kumar, Abhinav |4 oth | |
| 700 | 1 | |a Muddassir, Mohd |4 oth | |
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10.1016/j.jssc.2022.123517 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001902.pica (DE-627)ELV058941061 (ELSEVIER)S0022-4596(22)00642-9 DE-627 ger DE-627 rakwb eng 530 620 VZ 52.56 bkl Singh, Amita verfasserin aut Diaminopyridine Hg(II)-based 1D supramolecular polymer: Crystallographic and computational insights into spodium bonding 2022transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier A new Hg(II)-based one dimensional supramolecular polymer with a molecular formula of [(C5H3N(NH2)2Cl2Hg)]n (1) has been synthesized and characterized using microanalysis, FTIR, UV–Vis., multinuclear NMR and single crystal X-ray diffraction. The X-ray diffraction reveals initially a three coordinated geometry around the Hg(II) centre, coordinated covalently with two non-coplanar chlorine atoms and one nitrogen atom of the 2,6-diamino pyridine ring. Furthermore, two more chlorine centers form a bridge between two Hg centers through the Hg⋯Cl spodium bond interaction to furnish a pseudo trigonal bipyramidal geometry (τ5 = 0.957) in a supramolecular polymer. The solid state architecture of the polymer is stabilised by different weak interactions and it also exhibit unconventional Hg⋯Cl spodium and Hg⋯H–N interactions. The nature of these interactions have been investigated using Hirshfeld surface analyses, density functional theory and quantum theory of atoms in molecules (QTAIM) studies. The emission studies for the compound in both solution and solid phase have also been executed. A new Hg(II)-based one dimensional supramolecular polymer with a molecular formula of [(C5H3N(NH2)2Cl2Hg)]n (1) has been synthesized and characterized using microanalysis, FTIR, UV–Vis., multinuclear NMR and single crystal X-ray diffraction. The X-ray diffraction reveals initially a three coordinated geometry around the Hg(II) centre, coordinated covalently with two non-coplanar chlorine atoms and one nitrogen atom of the 2,6-diamino pyridine ring. Furthermore, two more chlorine centers form a bridge between two Hg centers through the Hg⋯Cl spodium bond interaction to furnish a pseudo trigonal bipyramidal geometry (τ5 = 0.957) in a supramolecular polymer. The solid state architecture of the polymer is stabilised by different weak interactions and it also exhibit unconventional Hg⋯Cl spodium and Hg⋯H–N interactions. The nature of these interactions have been investigated using Hirshfeld surface analyses, density functional theory and quantum theory of atoms in molecules (QTAIM) studies. The emission studies for the compound in both solution and solid phase have also been executed. Supramolecular polymer Elsevier Aggregation induced emission (AIE) Elsevier Spodium bond interaction Elsevier QTAIM Elsevier Hirshfeld surface Elsevier Kociok-Köhn, Gabriele oth Dutta, Archisman oth Kumar, Abhinav oth Muddassir, Mohd oth Enthalten in Academic Press Karbasian, Hamid Reza ELSEVIER Numerical analysis of wind turbines blade in deep dynamic stall 2022 Orlando, Fla (DE-627)ELV008417474 volume:315 year:2022 pages:0 https://doi.org/10.1016/j.jssc.2022.123517 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 52.56 Regenerative Energieformen alternative Energieformen VZ AR 315 2022 0 |
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10.1016/j.jssc.2022.123517 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001902.pica (DE-627)ELV058941061 (ELSEVIER)S0022-4596(22)00642-9 DE-627 ger DE-627 rakwb eng 530 620 VZ 52.56 bkl Singh, Amita verfasserin aut Diaminopyridine Hg(II)-based 1D supramolecular polymer: Crystallographic and computational insights into spodium bonding 2022transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier A new Hg(II)-based one dimensional supramolecular polymer with a molecular formula of [(C5H3N(NH2)2Cl2Hg)]n (1) has been synthesized and characterized using microanalysis, FTIR, UV–Vis., multinuclear NMR and single crystal X-ray diffraction. The X-ray diffraction reveals initially a three coordinated geometry around the Hg(II) centre, coordinated covalently with two non-coplanar chlorine atoms and one nitrogen atom of the 2,6-diamino pyridine ring. Furthermore, two more chlorine centers form a bridge between two Hg centers through the Hg⋯Cl spodium bond interaction to furnish a pseudo trigonal bipyramidal geometry (τ5 = 0.957) in a supramolecular polymer. The solid state architecture of the polymer is stabilised by different weak interactions and it also exhibit unconventional Hg⋯Cl spodium and Hg⋯H–N interactions. The nature of these interactions have been investigated using Hirshfeld surface analyses, density functional theory and quantum theory of atoms in molecules (QTAIM) studies. The emission studies for the compound in both solution and solid phase have also been executed. A new Hg(II)-based one dimensional supramolecular polymer with a molecular formula of [(C5H3N(NH2)2Cl2Hg)]n (1) has been synthesized and characterized using microanalysis, FTIR, UV–Vis., multinuclear NMR and single crystal X-ray diffraction. The X-ray diffraction reveals initially a three coordinated geometry around the Hg(II) centre, coordinated covalently with two non-coplanar chlorine atoms and one nitrogen atom of the 2,6-diamino pyridine ring. Furthermore, two more chlorine centers form a bridge between two Hg centers through the Hg⋯Cl spodium bond interaction to furnish a pseudo trigonal bipyramidal geometry (τ5 = 0.957) in a supramolecular polymer. The solid state architecture of the polymer is stabilised by different weak interactions and it also exhibit unconventional Hg⋯Cl spodium and Hg⋯H–N interactions. The nature of these interactions have been investigated using Hirshfeld surface analyses, density functional theory and quantum theory of atoms in molecules (QTAIM) studies. The emission studies for the compound in both solution and solid phase have also been executed. Supramolecular polymer Elsevier Aggregation induced emission (AIE) Elsevier Spodium bond interaction Elsevier QTAIM Elsevier Hirshfeld surface Elsevier Kociok-Köhn, Gabriele oth Dutta, Archisman oth Kumar, Abhinav oth Muddassir, Mohd oth Enthalten in Academic Press Karbasian, Hamid Reza ELSEVIER Numerical analysis of wind turbines blade in deep dynamic stall 2022 Orlando, Fla (DE-627)ELV008417474 volume:315 year:2022 pages:0 https://doi.org/10.1016/j.jssc.2022.123517 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 52.56 Regenerative Energieformen alternative Energieformen VZ AR 315 2022 0 |
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10.1016/j.jssc.2022.123517 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001902.pica (DE-627)ELV058941061 (ELSEVIER)S0022-4596(22)00642-9 DE-627 ger DE-627 rakwb eng 530 620 VZ 52.56 bkl Singh, Amita verfasserin aut Diaminopyridine Hg(II)-based 1D supramolecular polymer: Crystallographic and computational insights into spodium bonding 2022transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier A new Hg(II)-based one dimensional supramolecular polymer with a molecular formula of [(C5H3N(NH2)2Cl2Hg)]n (1) has been synthesized and characterized using microanalysis, FTIR, UV–Vis., multinuclear NMR and single crystal X-ray diffraction. The X-ray diffraction reveals initially a three coordinated geometry around the Hg(II) centre, coordinated covalently with two non-coplanar chlorine atoms and one nitrogen atom of the 2,6-diamino pyridine ring. Furthermore, two more chlorine centers form a bridge between two Hg centers through the Hg⋯Cl spodium bond interaction to furnish a pseudo trigonal bipyramidal geometry (τ5 = 0.957) in a supramolecular polymer. The solid state architecture of the polymer is stabilised by different weak interactions and it also exhibit unconventional Hg⋯Cl spodium and Hg⋯H–N interactions. The nature of these interactions have been investigated using Hirshfeld surface analyses, density functional theory and quantum theory of atoms in molecules (QTAIM) studies. The emission studies for the compound in both solution and solid phase have also been executed. A new Hg(II)-based one dimensional supramolecular polymer with a molecular formula of [(C5H3N(NH2)2Cl2Hg)]n (1) has been synthesized and characterized using microanalysis, FTIR, UV–Vis., multinuclear NMR and single crystal X-ray diffraction. The X-ray diffraction reveals initially a three coordinated geometry around the Hg(II) centre, coordinated covalently with two non-coplanar chlorine atoms and one nitrogen atom of the 2,6-diamino pyridine ring. Furthermore, two more chlorine centers form a bridge between two Hg centers through the Hg⋯Cl spodium bond interaction to furnish a pseudo trigonal bipyramidal geometry (τ5 = 0.957) in a supramolecular polymer. The solid state architecture of the polymer is stabilised by different weak interactions and it also exhibit unconventional Hg⋯Cl spodium and Hg⋯H–N interactions. The nature of these interactions have been investigated using Hirshfeld surface analyses, density functional theory and quantum theory of atoms in molecules (QTAIM) studies. The emission studies for the compound in both solution and solid phase have also been executed. Supramolecular polymer Elsevier Aggregation induced emission (AIE) Elsevier Spodium bond interaction Elsevier QTAIM Elsevier Hirshfeld surface Elsevier Kociok-Köhn, Gabriele oth Dutta, Archisman oth Kumar, Abhinav oth Muddassir, Mohd oth Enthalten in Academic Press Karbasian, Hamid Reza ELSEVIER Numerical analysis of wind turbines blade in deep dynamic stall 2022 Orlando, Fla (DE-627)ELV008417474 volume:315 year:2022 pages:0 https://doi.org/10.1016/j.jssc.2022.123517 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 52.56 Regenerative Energieformen alternative Energieformen VZ AR 315 2022 0 |
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10.1016/j.jssc.2022.123517 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001902.pica (DE-627)ELV058941061 (ELSEVIER)S0022-4596(22)00642-9 DE-627 ger DE-627 rakwb eng 530 620 VZ 52.56 bkl Singh, Amita verfasserin aut Diaminopyridine Hg(II)-based 1D supramolecular polymer: Crystallographic and computational insights into spodium bonding 2022transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier A new Hg(II)-based one dimensional supramolecular polymer with a molecular formula of [(C5H3N(NH2)2Cl2Hg)]n (1) has been synthesized and characterized using microanalysis, FTIR, UV–Vis., multinuclear NMR and single crystal X-ray diffraction. The X-ray diffraction reveals initially a three coordinated geometry around the Hg(II) centre, coordinated covalently with two non-coplanar chlorine atoms and one nitrogen atom of the 2,6-diamino pyridine ring. Furthermore, two more chlorine centers form a bridge between two Hg centers through the Hg⋯Cl spodium bond interaction to furnish a pseudo trigonal bipyramidal geometry (τ5 = 0.957) in a supramolecular polymer. The solid state architecture of the polymer is stabilised by different weak interactions and it also exhibit unconventional Hg⋯Cl spodium and Hg⋯H–N interactions. The nature of these interactions have been investigated using Hirshfeld surface analyses, density functional theory and quantum theory of atoms in molecules (QTAIM) studies. The emission studies for the compound in both solution and solid phase have also been executed. A new Hg(II)-based one dimensional supramolecular polymer with a molecular formula of [(C5H3N(NH2)2Cl2Hg)]n (1) has been synthesized and characterized using microanalysis, FTIR, UV–Vis., multinuclear NMR and single crystal X-ray diffraction. The X-ray diffraction reveals initially a three coordinated geometry around the Hg(II) centre, coordinated covalently with two non-coplanar chlorine atoms and one nitrogen atom of the 2,6-diamino pyridine ring. Furthermore, two more chlorine centers form a bridge between two Hg centers through the Hg⋯Cl spodium bond interaction to furnish a pseudo trigonal bipyramidal geometry (τ5 = 0.957) in a supramolecular polymer. The solid state architecture of the polymer is stabilised by different weak interactions and it also exhibit unconventional Hg⋯Cl spodium and Hg⋯H–N interactions. The nature of these interactions have been investigated using Hirshfeld surface analyses, density functional theory and quantum theory of atoms in molecules (QTAIM) studies. The emission studies for the compound in both solution and solid phase have also been executed. Supramolecular polymer Elsevier Aggregation induced emission (AIE) Elsevier Spodium bond interaction Elsevier QTAIM Elsevier Hirshfeld surface Elsevier Kociok-Köhn, Gabriele oth Dutta, Archisman oth Kumar, Abhinav oth Muddassir, Mohd oth Enthalten in Academic Press Karbasian, Hamid Reza ELSEVIER Numerical analysis of wind turbines blade in deep dynamic stall 2022 Orlando, Fla (DE-627)ELV008417474 volume:315 year:2022 pages:0 https://doi.org/10.1016/j.jssc.2022.123517 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 52.56 Regenerative Energieformen alternative Energieformen VZ AR 315 2022 0 |
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10.1016/j.jssc.2022.123517 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001902.pica (DE-627)ELV058941061 (ELSEVIER)S0022-4596(22)00642-9 DE-627 ger DE-627 rakwb eng 530 620 VZ 52.56 bkl Singh, Amita verfasserin aut Diaminopyridine Hg(II)-based 1D supramolecular polymer: Crystallographic and computational insights into spodium bonding 2022transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier A new Hg(II)-based one dimensional supramolecular polymer with a molecular formula of [(C5H3N(NH2)2Cl2Hg)]n (1) has been synthesized and characterized using microanalysis, FTIR, UV–Vis., multinuclear NMR and single crystal X-ray diffraction. The X-ray diffraction reveals initially a three coordinated geometry around the Hg(II) centre, coordinated covalently with two non-coplanar chlorine atoms and one nitrogen atom of the 2,6-diamino pyridine ring. Furthermore, two more chlorine centers form a bridge between two Hg centers through the Hg⋯Cl spodium bond interaction to furnish a pseudo trigonal bipyramidal geometry (τ5 = 0.957) in a supramolecular polymer. The solid state architecture of the polymer is stabilised by different weak interactions and it also exhibit unconventional Hg⋯Cl spodium and Hg⋯H–N interactions. The nature of these interactions have been investigated using Hirshfeld surface analyses, density functional theory and quantum theory of atoms in molecules (QTAIM) studies. The emission studies for the compound in both solution and solid phase have also been executed. A new Hg(II)-based one dimensional supramolecular polymer with a molecular formula of [(C5H3N(NH2)2Cl2Hg)]n (1) has been synthesized and characterized using microanalysis, FTIR, UV–Vis., multinuclear NMR and single crystal X-ray diffraction. The X-ray diffraction reveals initially a three coordinated geometry around the Hg(II) centre, coordinated covalently with two non-coplanar chlorine atoms and one nitrogen atom of the 2,6-diamino pyridine ring. Furthermore, two more chlorine centers form a bridge between two Hg centers through the Hg⋯Cl spodium bond interaction to furnish a pseudo trigonal bipyramidal geometry (τ5 = 0.957) in a supramolecular polymer. The solid state architecture of the polymer is stabilised by different weak interactions and it also exhibit unconventional Hg⋯Cl spodium and Hg⋯H–N interactions. The nature of these interactions have been investigated using Hirshfeld surface analyses, density functional theory and quantum theory of atoms in molecules (QTAIM) studies. The emission studies for the compound in both solution and solid phase have also been executed. Supramolecular polymer Elsevier Aggregation induced emission (AIE) Elsevier Spodium bond interaction Elsevier QTAIM Elsevier Hirshfeld surface Elsevier Kociok-Köhn, Gabriele oth Dutta, Archisman oth Kumar, Abhinav oth Muddassir, Mohd oth Enthalten in Academic Press Karbasian, Hamid Reza ELSEVIER Numerical analysis of wind turbines blade in deep dynamic stall 2022 Orlando, Fla (DE-627)ELV008417474 volume:315 year:2022 pages:0 https://doi.org/10.1016/j.jssc.2022.123517 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 52.56 Regenerative Energieformen alternative Energieformen VZ AR 315 2022 0 |
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The X-ray diffraction reveals initially a three coordinated geometry around the Hg(II) centre, coordinated covalently with two non-coplanar chlorine atoms and one nitrogen atom of the 2,6-diamino pyridine ring. Furthermore, two more chlorine centers form a bridge between two Hg centers through the Hg⋯Cl spodium bond interaction to furnish a pseudo trigonal bipyramidal geometry (τ5 = 0.957) in a supramolecular polymer. The solid state architecture of the polymer is stabilised by different weak interactions and it also exhibit unconventional Hg⋯Cl spodium and Hg⋯H–N interactions. The nature of these interactions have been investigated using Hirshfeld surface analyses, density functional theory and quantum theory of atoms in molecules (QTAIM) studies. 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Diaminopyridine Hg(II)-based 1D supramolecular polymer: Crystallographic and computational insights into spodium bonding |
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A new Hg(II)-based one dimensional supramolecular polymer with a molecular formula of [(C5H3N(NH2)2Cl2Hg)]n (1) has been synthesized and characterized using microanalysis, FTIR, UV–Vis., multinuclear NMR and single crystal X-ray diffraction. The X-ray diffraction reveals initially a three coordinated geometry around the Hg(II) centre, coordinated covalently with two non-coplanar chlorine atoms and one nitrogen atom of the 2,6-diamino pyridine ring. Furthermore, two more chlorine centers form a bridge between two Hg centers through the Hg⋯Cl spodium bond interaction to furnish a pseudo trigonal bipyramidal geometry (τ5 = 0.957) in a supramolecular polymer. The solid state architecture of the polymer is stabilised by different weak interactions and it also exhibit unconventional Hg⋯Cl spodium and Hg⋯H–N interactions. The nature of these interactions have been investigated using Hirshfeld surface analyses, density functional theory and quantum theory of atoms in molecules (QTAIM) studies. The emission studies for the compound in both solution and solid phase have also been executed. |
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A new Hg(II)-based one dimensional supramolecular polymer with a molecular formula of [(C5H3N(NH2)2Cl2Hg)]n (1) has been synthesized and characterized using microanalysis, FTIR, UV–Vis., multinuclear NMR and single crystal X-ray diffraction. The X-ray diffraction reveals initially a three coordinated geometry around the Hg(II) centre, coordinated covalently with two non-coplanar chlorine atoms and one nitrogen atom of the 2,6-diamino pyridine ring. Furthermore, two more chlorine centers form a bridge between two Hg centers through the Hg⋯Cl spodium bond interaction to furnish a pseudo trigonal bipyramidal geometry (τ5 = 0.957) in a supramolecular polymer. The solid state architecture of the polymer is stabilised by different weak interactions and it also exhibit unconventional Hg⋯Cl spodium and Hg⋯H–N interactions. The nature of these interactions have been investigated using Hirshfeld surface analyses, density functional theory and quantum theory of atoms in molecules (QTAIM) studies. The emission studies for the compound in both solution and solid phase have also been executed. |
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A new Hg(II)-based one dimensional supramolecular polymer with a molecular formula of [(C5H3N(NH2)2Cl2Hg)]n (1) has been synthesized and characterized using microanalysis, FTIR, UV–Vis., multinuclear NMR and single crystal X-ray diffraction. The X-ray diffraction reveals initially a three coordinated geometry around the Hg(II) centre, coordinated covalently with two non-coplanar chlorine atoms and one nitrogen atom of the 2,6-diamino pyridine ring. Furthermore, two more chlorine centers form a bridge between two Hg centers through the Hg⋯Cl spodium bond interaction to furnish a pseudo trigonal bipyramidal geometry (τ5 = 0.957) in a supramolecular polymer. The solid state architecture of the polymer is stabilised by different weak interactions and it also exhibit unconventional Hg⋯Cl spodium and Hg⋯H–N interactions. The nature of these interactions have been investigated using Hirshfeld surface analyses, density functional theory and quantum theory of atoms in molecules (QTAIM) studies. The emission studies for the compound in both solution and solid phase have also been executed. |
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