Synthesis, Characterization, Crystal Structure, and DFT Study of a New Square Planar Cu(II) Complex Containing Bulky Adamantane Ligand
A copper complex with square planar geometry, [(L)CuBr2] (1), (L = N′-(furan-2-ylmethylene)adamantne-1-carbohydrazide) has been synthesized and characterized by Fourier transfer infrared (FTIR) spectroscopy, elemental analysis, mass spectrometry, and single crystal X-ray diffraction. The crystal of...
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MDPI AG
2018-03-01
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| Series: | Molecules |
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| Online Access: | http://www.mdpi.com/1420-3049/23/3/701 |
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| author | Monther A. Khanfar Areej M. Jaber Murad A. AlDamen Raed A. Al-Qawasmeh |
| author_facet | Monther A. Khanfar Areej M. Jaber Murad A. AlDamen Raed A. Al-Qawasmeh |
| author_sort | Monther A. Khanfar |
| collection | DOAJ |
| description | A copper complex with square planar geometry, [(L)CuBr2] (1), (L = N′-(furan-2-ylmethylene)adamantne-1-carbohydrazide) has been synthesized and characterized by Fourier transfer infrared (FTIR) spectroscopy, elemental analysis, mass spectrometry, and single crystal X-ray diffraction. The crystal of 1 is solved as monoclinic, space group P21/m with unit cell parameters: a = 10.8030(8), b = 6.6115(8), c = 12.1264(12) Å, β = 101.124(8)°, V = 849.84(15) Å3, Z = 2, and R1 = 0.0751 with wR2 = 0.1581 (I > 2 σ). The structure of 1 shows intramolecular hydrogen bonding between the N–H and the furan oxygen which stabilizes the configuration of the complex. Furthermore, inside the lattice there are other weak interactions between bromo ligands and the ligand L. DFT calculations where performed to study the stability of this geometry. |
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| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-12-23T21:16:35Z |
| publishDate | 2018-03-01 |
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| record_format | Article |
| series | Molecules |
| spelling | doaj.art-2ab1d910106c48d5b6a5738b3fb6814d2022-12-21T17:30:53ZengMDPI AGMolecules1420-30492018-03-0123370110.3390/molecules23030701molecules23030701Synthesis, Characterization, Crystal Structure, and DFT Study of a New Square Planar Cu(II) Complex Containing Bulky Adamantane LigandMonther A. Khanfar0Areej M. Jaber1Murad A. AlDamen2Raed A. Al-Qawasmeh3Department of Chemistry, Faculty of Science, the University of Jordan, Amman 11942, JordanDepartment of Chemistry, Faculty of Science, the University of Jordan, Amman 11942, JordanDepartment of Chemistry, Faculty of Science, the University of Jordan, Amman 11942, JordanDepartment of Chemistry, Faculty of Science, the University of Jordan, Amman 11942, JordanA copper complex with square planar geometry, [(L)CuBr2] (1), (L = N′-(furan-2-ylmethylene)adamantne-1-carbohydrazide) has been synthesized and characterized by Fourier transfer infrared (FTIR) spectroscopy, elemental analysis, mass spectrometry, and single crystal X-ray diffraction. The crystal of 1 is solved as monoclinic, space group P21/m with unit cell parameters: a = 10.8030(8), b = 6.6115(8), c = 12.1264(12) Å, β = 101.124(8)°, V = 849.84(15) Å3, Z = 2, and R1 = 0.0751 with wR2 = 0.1581 (I > 2 σ). The structure of 1 shows intramolecular hydrogen bonding between the N–H and the furan oxygen which stabilizes the configuration of the complex. Furthermore, inside the lattice there are other weak interactions between bromo ligands and the ligand L. DFT calculations where performed to study the stability of this geometry.http://www.mdpi.com/1420-3049/23/3/7012-furyl adamantanhydrazonehydrazone complexessquare planar copper(II) complexDFT |
| spellingShingle | Monther A. Khanfar Areej M. Jaber Murad A. AlDamen Raed A. Al-Qawasmeh Synthesis, Characterization, Crystal Structure, and DFT Study of a New Square Planar Cu(II) Complex Containing Bulky Adamantane Ligand Molecules 2-furyl adamantanhydrazone hydrazone complexes square planar copper(II) complex DFT |
| title | Synthesis, Characterization, Crystal Structure, and DFT Study of a New Square Planar Cu(II) Complex Containing Bulky Adamantane Ligand |
| title_full | Synthesis, Characterization, Crystal Structure, and DFT Study of a New Square Planar Cu(II) Complex Containing Bulky Adamantane Ligand |
| title_fullStr | Synthesis, Characterization, Crystal Structure, and DFT Study of a New Square Planar Cu(II) Complex Containing Bulky Adamantane Ligand |
| title_full_unstemmed | Synthesis, Characterization, Crystal Structure, and DFT Study of a New Square Planar Cu(II) Complex Containing Bulky Adamantane Ligand |
| title_short | Synthesis, Characterization, Crystal Structure, and DFT Study of a New Square Planar Cu(II) Complex Containing Bulky Adamantane Ligand |
| title_sort | synthesis characterization crystal structure and dft study of a new square planar cu ii complex containing bulky adamantane ligand |
| topic | 2-furyl adamantanhydrazone hydrazone complexes square planar copper(II) complex DFT |
| url | http://www.mdpi.com/1420-3049/23/3/701 |
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