Structural and Photophysical Properties of a Cd(II) Coordination Polymer Based on Mixed Aromatic Ligands: A Combined Experimental and Theoretical Study
Abstract A novel one-dimensional Cd(II) coordination polymer (CP) based on mixed aromatic ligands was synthesized and characterized by X-ray diffraction, thermogravimetric analysis and spectroscopic analyses. Fingerprint plots in Hirshfeld surface analysis illustrate that the one-dimensional crystal...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Zhang, Hang [verfasserIn] |
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| Format: |
Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2017 |
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| Schlagwörter: |
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| Anmerkung: |
© Springer Science+Business Media New York 2017 |
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| Übergeordnetes Werk: |
Enthalten in: Journal of inorganic and organometallic polymers and materials - Springer US, 1991, 27(2017), 4 vom: 09. Apr., Seite 923-933 |
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| Übergeordnetes Werk: |
volume:27 ; year:2017 ; number:4 ; day:09 ; month:04 ; pages:923-933 |
| Links: |
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| DOI / URN: |
10.1007/s10904-017-0537-5 |
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OLC206152043X |
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| 520 | |a Abstract A novel one-dimensional Cd(II) coordination polymer (CP) based on mixed aromatic ligands was synthesized and characterized by X-ray diffraction, thermogravimetric analysis and spectroscopic analyses. Fingerprint plots in Hirshfeld surface analysis illustrate that the one-dimensional crystal structure of the CP is stabilized by C–H···O, π···π, C–H···π, and H···H intermolecular interactions. The structural and photophysical properties of the CP were then investigated by time-dependent density functional theory methods, and computational results well reproduced the experimental data. The combined investigations found a ligand-to-ligand charge transfer character during the electrons relax from the first singlet $ excited_{1} $ state of the CP. The weak fluorescence of CP could be resulted from the energy interlacing of the frontier molecular orbitals (FMOs) of aromatic ligands and the fulfilled d10 configuration of Cd(II). Herein, this CP exhibits as a potential tunable luminescent sensor by adjusting the energy levels of the FMOs of aromatic ligands. | ||
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10.1007/s10904-017-0537-5 doi (DE-627)OLC206152043X (DE-He213)s10904-017-0537-5-p DE-627 ger DE-627 rakwb eng 660 VZ Zhang, Hang verfasserin aut Structural and Photophysical Properties of a Cd(II) Coordination Polymer Based on Mixed Aromatic Ligands: A Combined Experimental and Theoretical Study 2017 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Springer Science+Business Media New York 2017 Abstract A novel one-dimensional Cd(II) coordination polymer (CP) based on mixed aromatic ligands was synthesized and characterized by X-ray diffraction, thermogravimetric analysis and spectroscopic analyses. Fingerprint plots in Hirshfeld surface analysis illustrate that the one-dimensional crystal structure of the CP is stabilized by C–H···O, π···π, C–H···π, and H···H intermolecular interactions. The structural and photophysical properties of the CP were then investigated by time-dependent density functional theory methods, and computational results well reproduced the experimental data. The combined investigations found a ligand-to-ligand charge transfer character during the electrons relax from the first singlet $ excited_{1} $ state of the CP. The weak fluorescence of CP could be resulted from the energy interlacing of the frontier molecular orbitals (FMOs) of aromatic ligands and the fulfilled d10 configuration of Cd(II). Herein, this CP exhibits as a potential tunable luminescent sensor by adjusting the energy levels of the FMOs of aromatic ligands. Coordination polymer Ligand-to-ligand charge transfer Density functional theory Frontier molecular orbital Fluorescence Zhou, Can-Hua aut Liu, Dong aut Li, Guang-Yue aut Enthalten in Journal of inorganic and organometallic polymers and materials Springer US, 1991 27(2017), 4 vom: 09. Apr., Seite 923-933 (DE-627)130968625 (DE-600)1069621-0 (DE-576)029153867 1574-1443 nnns volume:27 year:2017 number:4 day:09 month:04 pages:923-933 https://doi.org/10.1007/s10904-017-0537-5 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-TEC SSG-OLC-CHE SSG-OLC-PHA SSG-OLC-DE-84 GBV_ILN_70 AR 27 2017 4 09 04 923-933 |
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10.1007/s10904-017-0537-5 doi (DE-627)OLC206152043X (DE-He213)s10904-017-0537-5-p DE-627 ger DE-627 rakwb eng 660 VZ Zhang, Hang verfasserin aut Structural and Photophysical Properties of a Cd(II) Coordination Polymer Based on Mixed Aromatic Ligands: A Combined Experimental and Theoretical Study 2017 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Springer Science+Business Media New York 2017 Abstract A novel one-dimensional Cd(II) coordination polymer (CP) based on mixed aromatic ligands was synthesized and characterized by X-ray diffraction, thermogravimetric analysis and spectroscopic analyses. Fingerprint plots in Hirshfeld surface analysis illustrate that the one-dimensional crystal structure of the CP is stabilized by C–H···O, π···π, C–H···π, and H···H intermolecular interactions. The structural and photophysical properties of the CP were then investigated by time-dependent density functional theory methods, and computational results well reproduced the experimental data. The combined investigations found a ligand-to-ligand charge transfer character during the electrons relax from the first singlet $ excited_{1} $ state of the CP. The weak fluorescence of CP could be resulted from the energy interlacing of the frontier molecular orbitals (FMOs) of aromatic ligands and the fulfilled d10 configuration of Cd(II). Herein, this CP exhibits as a potential tunable luminescent sensor by adjusting the energy levels of the FMOs of aromatic ligands. Coordination polymer Ligand-to-ligand charge transfer Density functional theory Frontier molecular orbital Fluorescence Zhou, Can-Hua aut Liu, Dong aut Li, Guang-Yue aut Enthalten in Journal of inorganic and organometallic polymers and materials Springer US, 1991 27(2017), 4 vom: 09. Apr., Seite 923-933 (DE-627)130968625 (DE-600)1069621-0 (DE-576)029153867 1574-1443 nnns volume:27 year:2017 number:4 day:09 month:04 pages:923-933 https://doi.org/10.1007/s10904-017-0537-5 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-TEC SSG-OLC-CHE SSG-OLC-PHA SSG-OLC-DE-84 GBV_ILN_70 AR 27 2017 4 09 04 923-933 |
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10.1007/s10904-017-0537-5 doi (DE-627)OLC206152043X (DE-He213)s10904-017-0537-5-p DE-627 ger DE-627 rakwb eng 660 VZ Zhang, Hang verfasserin aut Structural and Photophysical Properties of a Cd(II) Coordination Polymer Based on Mixed Aromatic Ligands: A Combined Experimental and Theoretical Study 2017 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Springer Science+Business Media New York 2017 Abstract A novel one-dimensional Cd(II) coordination polymer (CP) based on mixed aromatic ligands was synthesized and characterized by X-ray diffraction, thermogravimetric analysis and spectroscopic analyses. Fingerprint plots in Hirshfeld surface analysis illustrate that the one-dimensional crystal structure of the CP is stabilized by C–H···O, π···π, C–H···π, and H···H intermolecular interactions. The structural and photophysical properties of the CP were then investigated by time-dependent density functional theory methods, and computational results well reproduced the experimental data. The combined investigations found a ligand-to-ligand charge transfer character during the electrons relax from the first singlet $ excited_{1} $ state of the CP. The weak fluorescence of CP could be resulted from the energy interlacing of the frontier molecular orbitals (FMOs) of aromatic ligands and the fulfilled d10 configuration of Cd(II). Herein, this CP exhibits as a potential tunable luminescent sensor by adjusting the energy levels of the FMOs of aromatic ligands. Coordination polymer Ligand-to-ligand charge transfer Density functional theory Frontier molecular orbital Fluorescence Zhou, Can-Hua aut Liu, Dong aut Li, Guang-Yue aut Enthalten in Journal of inorganic and organometallic polymers and materials Springer US, 1991 27(2017), 4 vom: 09. Apr., Seite 923-933 (DE-627)130968625 (DE-600)1069621-0 (DE-576)029153867 1574-1443 nnns volume:27 year:2017 number:4 day:09 month:04 pages:923-933 https://doi.org/10.1007/s10904-017-0537-5 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-TEC SSG-OLC-CHE SSG-OLC-PHA SSG-OLC-DE-84 GBV_ILN_70 AR 27 2017 4 09 04 923-933 |
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10.1007/s10904-017-0537-5 doi (DE-627)OLC206152043X (DE-He213)s10904-017-0537-5-p DE-627 ger DE-627 rakwb eng 660 VZ Zhang, Hang verfasserin aut Structural and Photophysical Properties of a Cd(II) Coordination Polymer Based on Mixed Aromatic Ligands: A Combined Experimental and Theoretical Study 2017 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Springer Science+Business Media New York 2017 Abstract A novel one-dimensional Cd(II) coordination polymer (CP) based on mixed aromatic ligands was synthesized and characterized by X-ray diffraction, thermogravimetric analysis and spectroscopic analyses. Fingerprint plots in Hirshfeld surface analysis illustrate that the one-dimensional crystal structure of the CP is stabilized by C–H···O, π···π, C–H···π, and H···H intermolecular interactions. The structural and photophysical properties of the CP were then investigated by time-dependent density functional theory methods, and computational results well reproduced the experimental data. The combined investigations found a ligand-to-ligand charge transfer character during the electrons relax from the first singlet $ excited_{1} $ state of the CP. The weak fluorescence of CP could be resulted from the energy interlacing of the frontier molecular orbitals (FMOs) of aromatic ligands and the fulfilled d10 configuration of Cd(II). Herein, this CP exhibits as a potential tunable luminescent sensor by adjusting the energy levels of the FMOs of aromatic ligands. Coordination polymer Ligand-to-ligand charge transfer Density functional theory Frontier molecular orbital Fluorescence Zhou, Can-Hua aut Liu, Dong aut Li, Guang-Yue aut Enthalten in Journal of inorganic and organometallic polymers and materials Springer US, 1991 27(2017), 4 vom: 09. Apr., Seite 923-933 (DE-627)130968625 (DE-600)1069621-0 (DE-576)029153867 1574-1443 nnns volume:27 year:2017 number:4 day:09 month:04 pages:923-933 https://doi.org/10.1007/s10904-017-0537-5 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-TEC SSG-OLC-CHE SSG-OLC-PHA SSG-OLC-DE-84 GBV_ILN_70 AR 27 2017 4 09 04 923-933 |
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10.1007/s10904-017-0537-5 doi (DE-627)OLC206152043X (DE-He213)s10904-017-0537-5-p DE-627 ger DE-627 rakwb eng 660 VZ Zhang, Hang verfasserin aut Structural and Photophysical Properties of a Cd(II) Coordination Polymer Based on Mixed Aromatic Ligands: A Combined Experimental and Theoretical Study 2017 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Springer Science+Business Media New York 2017 Abstract A novel one-dimensional Cd(II) coordination polymer (CP) based on mixed aromatic ligands was synthesized and characterized by X-ray diffraction, thermogravimetric analysis and spectroscopic analyses. Fingerprint plots in Hirshfeld surface analysis illustrate that the one-dimensional crystal structure of the CP is stabilized by C–H···O, π···π, C–H···π, and H···H intermolecular interactions. The structural and photophysical properties of the CP were then investigated by time-dependent density functional theory methods, and computational results well reproduced the experimental data. The combined investigations found a ligand-to-ligand charge transfer character during the electrons relax from the first singlet $ excited_{1} $ state of the CP. The weak fluorescence of CP could be resulted from the energy interlacing of the frontier molecular orbitals (FMOs) of aromatic ligands and the fulfilled d10 configuration of Cd(II). Herein, this CP exhibits as a potential tunable luminescent sensor by adjusting the energy levels of the FMOs of aromatic ligands. Coordination polymer Ligand-to-ligand charge transfer Density functional theory Frontier molecular orbital Fluorescence Zhou, Can-Hua aut Liu, Dong aut Li, Guang-Yue aut Enthalten in Journal of inorganic and organometallic polymers and materials Springer US, 1991 27(2017), 4 vom: 09. Apr., Seite 923-933 (DE-627)130968625 (DE-600)1069621-0 (DE-576)029153867 1574-1443 nnns volume:27 year:2017 number:4 day:09 month:04 pages:923-933 https://doi.org/10.1007/s10904-017-0537-5 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-TEC SSG-OLC-CHE SSG-OLC-PHA SSG-OLC-DE-84 GBV_ILN_70 AR 27 2017 4 09 04 923-933 |
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Structural and Photophysical Properties of a Cd(II) Coordination Polymer Based on Mixed Aromatic Ligands: A Combined Experimental and Theoretical Study |
| abstract |
Abstract A novel one-dimensional Cd(II) coordination polymer (CP) based on mixed aromatic ligands was synthesized and characterized by X-ray diffraction, thermogravimetric analysis and spectroscopic analyses. Fingerprint plots in Hirshfeld surface analysis illustrate that the one-dimensional crystal structure of the CP is stabilized by C–H···O, π···π, C–H···π, and H···H intermolecular interactions. The structural and photophysical properties of the CP were then investigated by time-dependent density functional theory methods, and computational results well reproduced the experimental data. The combined investigations found a ligand-to-ligand charge transfer character during the electrons relax from the first singlet $ excited_{1} $ state of the CP. The weak fluorescence of CP could be resulted from the energy interlacing of the frontier molecular orbitals (FMOs) of aromatic ligands and the fulfilled d10 configuration of Cd(II). Herein, this CP exhibits as a potential tunable luminescent sensor by adjusting the energy levels of the FMOs of aromatic ligands. © Springer Science+Business Media New York 2017 |
| abstractGer |
Abstract A novel one-dimensional Cd(II) coordination polymer (CP) based on mixed aromatic ligands was synthesized and characterized by X-ray diffraction, thermogravimetric analysis and spectroscopic analyses. Fingerprint plots in Hirshfeld surface analysis illustrate that the one-dimensional crystal structure of the CP is stabilized by C–H···O, π···π, C–H···π, and H···H intermolecular interactions. The structural and photophysical properties of the CP were then investigated by time-dependent density functional theory methods, and computational results well reproduced the experimental data. The combined investigations found a ligand-to-ligand charge transfer character during the electrons relax from the first singlet $ excited_{1} $ state of the CP. The weak fluorescence of CP could be resulted from the energy interlacing of the frontier molecular orbitals (FMOs) of aromatic ligands and the fulfilled d10 configuration of Cd(II). Herein, this CP exhibits as a potential tunable luminescent sensor by adjusting the energy levels of the FMOs of aromatic ligands. © Springer Science+Business Media New York 2017 |
| abstract_unstemmed |
Abstract A novel one-dimensional Cd(II) coordination polymer (CP) based on mixed aromatic ligands was synthesized and characterized by X-ray diffraction, thermogravimetric analysis and spectroscopic analyses. Fingerprint plots in Hirshfeld surface analysis illustrate that the one-dimensional crystal structure of the CP is stabilized by C–H···O, π···π, C–H···π, and H···H intermolecular interactions. The structural and photophysical properties of the CP were then investigated by time-dependent density functional theory methods, and computational results well reproduced the experimental data. The combined investigations found a ligand-to-ligand charge transfer character during the electrons relax from the first singlet $ excited_{1} $ state of the CP. The weak fluorescence of CP could be resulted from the energy interlacing of the frontier molecular orbitals (FMOs) of aromatic ligands and the fulfilled d10 configuration of Cd(II). Herein, this CP exhibits as a potential tunable luminescent sensor by adjusting the energy levels of the FMOs of aromatic ligands. © Springer Science+Business Media New York 2017 |
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| title_short |
Structural and Photophysical Properties of a Cd(II) Coordination Polymer Based on Mixed Aromatic Ligands: A Combined Experimental and Theoretical Study |
| url |
https://doi.org/10.1007/s10904-017-0537-5 |
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| author2 |
Zhou, Can-Hua Liu, Dong Li, Guang-Yue |
| author2Str |
Zhou, Can-Hua Liu, Dong Li, Guang-Yue |
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| doi_str |
10.1007/s10904-017-0537-5 |
| up_date |
2024-07-04T03:47:07.547Z |
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