Crystallographic and Spectroscopic Investigations on Oxidative Coordination in the Heteroleptic Mononuclear Complex of Cerium and Benzoxazine Dimer
Among lanthanide-based compounds, cerium compounds exhibit a significant role in a variety of research fields due to their distinct tetravalency, high economic feasibility, and high stability of Ce(IV) complexes. Herein, a systematic investigation of crystallographic information, chemical properties...
| Main Authors: | , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2021-09-01
|
| Series: | Molecules |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/26/17/5410 |
| _version_ | 1797520945611538432 |
|---|---|
| author | Worawat Wattanathana Natapol Suetrong Peetikamol Kongsamai Kantapat Chansaenpak Nutthawat Chuanopparat Yuranan Hanlumyuang Pongsakorn Kanjanaboos Suttipong Wannapaiboon |
| author_facet | Worawat Wattanathana Natapol Suetrong Peetikamol Kongsamai Kantapat Chansaenpak Nutthawat Chuanopparat Yuranan Hanlumyuang Pongsakorn Kanjanaboos Suttipong Wannapaiboon |
| author_sort | Worawat Wattanathana |
| collection | DOAJ |
| description | Among lanthanide-based compounds, cerium compounds exhibit a significant role in a variety of research fields due to their distinct tetravalency, high economic feasibility, and high stability of Ce(IV) complexes. Herein, a systematic investigation of crystallographic information, chemical properties, and mechanistic formation of the novel Ce(IV) complex synthesized from cerium(III) nitrate hexahydrate and 2,2′-(methylazanediyl)bis(methylene)bis(4-methylphenol) (MMD) ligand has been explored. According to the analysis of the crystallographic information, the obtained complex crystal consists of the Ce(IV) center coordinated with two nitrate ligands and two bidentate coordinated (<i>N</i>-protonated and O,O-deprotonated) MMD ligands. The fingerprint plots and the Hirshfeld surface analyses suggest that the C–H⋯O and C–H⋯π interactions significantly contribute to the crystal packing. The C–H⋯O and C–H⋯π contacts link the molecules into infinite molecular chains propagating along the [100] and [010] directions. Synchrotron powder X-ray diffraction (XRD) and X-ray absorption spectroscopy (XAS) techniques have been employed to gain an understanding of the oxidative complexation of Ce(IV)-MMD complex in detail. This finding would provide the possibility to systematically control the synthetic parameters and wisely design the precursor components in order to achieve the desired properties of novel materials for specific applications. |
| first_indexed | 2024-03-10T08:05:40Z |
| format | Article |
| id | doaj.art-2af5fdabffc145d298640baa4820ad2c |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-10T08:05:40Z |
| publishDate | 2021-09-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-2af5fdabffc145d298640baa4820ad2c2023-11-22T11:03:43ZengMDPI AGMolecules1420-30492021-09-012617541010.3390/molecules26175410Crystallographic and Spectroscopic Investigations on Oxidative Coordination in the Heteroleptic Mononuclear Complex of Cerium and Benzoxazine DimerWorawat Wattanathana0Natapol Suetrong1Peetikamol Kongsamai2Kantapat Chansaenpak3Nutthawat Chuanopparat4Yuranan Hanlumyuang5Pongsakorn Kanjanaboos6Suttipong Wannapaiboon7Department of Materials Engineering, Faculty of Engineering, Kasetsart University, Ladyao, Chatuchak, Bangkok 10900, ThailandDepartment of Materials Engineering, Faculty of Engineering, Kasetsart University, Ladyao, Chatuchak, Bangkok 10900, ThailandSchool of Chemistry, Institute of Science, Suranaree University of Technology, 111 University Avenue, Suranaree, Muang, Nakhon Ratchasima 30000, ThailandNational Nanotechnology Center, National Science and Technology Development Agency, Thailand Science Park, Khlong Luang 12120, ThailandDepartment of Chemistry, Faculty of Science, Kasetsart University, Ladyao, Chatuchak, Bangkok 10900, ThailandDepartment of Materials Engineering, Faculty of Engineering, Kasetsart University, Ladyao, Chatuchak, Bangkok 10900, ThailandSchool of Materials Science and Innovation, Faculty of Science, Mahidol University, Nakhon Pathom 73170, ThailandSynchrotron Light Research Institute, 111 University Avenue, Suranaree, Muang, Nakhon Ratchasima 30000, ThailandAmong lanthanide-based compounds, cerium compounds exhibit a significant role in a variety of research fields due to their distinct tetravalency, high economic feasibility, and high stability of Ce(IV) complexes. Herein, a systematic investigation of crystallographic information, chemical properties, and mechanistic formation of the novel Ce(IV) complex synthesized from cerium(III) nitrate hexahydrate and 2,2′-(methylazanediyl)bis(methylene)bis(4-methylphenol) (MMD) ligand has been explored. According to the analysis of the crystallographic information, the obtained complex crystal consists of the Ce(IV) center coordinated with two nitrate ligands and two bidentate coordinated (<i>N</i>-protonated and O,O-deprotonated) MMD ligands. The fingerprint plots and the Hirshfeld surface analyses suggest that the C–H⋯O and C–H⋯π interactions significantly contribute to the crystal packing. The C–H⋯O and C–H⋯π contacts link the molecules into infinite molecular chains propagating along the [100] and [010] directions. Synchrotron powder X-ray diffraction (XRD) and X-ray absorption spectroscopy (XAS) techniques have been employed to gain an understanding of the oxidative complexation of Ce(IV)-MMD complex in detail. This finding would provide the possibility to systematically control the synthetic parameters and wisely design the precursor components in order to achieve the desired properties of novel materials for specific applications.https://www.mdpi.com/1420-3049/26/17/5410crystal structurecerium complexbenzoxazinebenzoxazine dimerX-ray absorption spectroscopy |
| spellingShingle | Worawat Wattanathana Natapol Suetrong Peetikamol Kongsamai Kantapat Chansaenpak Nutthawat Chuanopparat Yuranan Hanlumyuang Pongsakorn Kanjanaboos Suttipong Wannapaiboon Crystallographic and Spectroscopic Investigations on Oxidative Coordination in the Heteroleptic Mononuclear Complex of Cerium and Benzoxazine Dimer Molecules crystal structure cerium complex benzoxazine benzoxazine dimer X-ray absorption spectroscopy |
| title | Crystallographic and Spectroscopic Investigations on Oxidative Coordination in the Heteroleptic Mononuclear Complex of Cerium and Benzoxazine Dimer |
| title_full | Crystallographic and Spectroscopic Investigations on Oxidative Coordination in the Heteroleptic Mononuclear Complex of Cerium and Benzoxazine Dimer |
| title_fullStr | Crystallographic and Spectroscopic Investigations on Oxidative Coordination in the Heteroleptic Mononuclear Complex of Cerium and Benzoxazine Dimer |
| title_full_unstemmed | Crystallographic and Spectroscopic Investigations on Oxidative Coordination in the Heteroleptic Mononuclear Complex of Cerium and Benzoxazine Dimer |
| title_short | Crystallographic and Spectroscopic Investigations on Oxidative Coordination in the Heteroleptic Mononuclear Complex of Cerium and Benzoxazine Dimer |
| title_sort | crystallographic and spectroscopic investigations on oxidative coordination in the heteroleptic mononuclear complex of cerium and benzoxazine dimer |
| topic | crystal structure cerium complex benzoxazine benzoxazine dimer X-ray absorption spectroscopy |
| url | https://www.mdpi.com/1420-3049/26/17/5410 |
| work_keys_str_mv | AT worawatwattanathana crystallographicandspectroscopicinvestigationsonoxidativecoordinationintheheterolepticmononuclearcomplexofceriumandbenzoxazinedimer AT natapolsuetrong crystallographicandspectroscopicinvestigationsonoxidativecoordinationintheheterolepticmononuclearcomplexofceriumandbenzoxazinedimer AT peetikamolkongsamai crystallographicandspectroscopicinvestigationsonoxidativecoordinationintheheterolepticmononuclearcomplexofceriumandbenzoxazinedimer AT kantapatchansaenpak crystallographicandspectroscopicinvestigationsonoxidativecoordinationintheheterolepticmononuclearcomplexofceriumandbenzoxazinedimer AT nutthawatchuanopparat crystallographicandspectroscopicinvestigationsonoxidativecoordinationintheheterolepticmononuclearcomplexofceriumandbenzoxazinedimer AT yurananhanlumyuang crystallographicandspectroscopicinvestigationsonoxidativecoordinationintheheterolepticmononuclearcomplexofceriumandbenzoxazinedimer AT pongsakornkanjanaboos crystallographicandspectroscopicinvestigationsonoxidativecoordinationintheheterolepticmononuclearcomplexofceriumandbenzoxazinedimer AT suttipongwannapaiboon crystallographicandspectroscopicinvestigationsonoxidativecoordinationintheheterolepticmononuclearcomplexofceriumandbenzoxazinedimer |