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PKP Metadata Items |
Metadata for this Document |
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| 1. |
Title |
Title of document |
Synthesis, XRD, DFT-optimization, MEP and Hirshfeld surface analysis of di-μ-Chloro-bis[chloro(1,10-phenanthroline)Cd(II) dimer |
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| 2. |
Creator |
Author's name, affiliation, country |
S. Amereih, A. Al Ali, A. Zarrouk, A. Chetouni, K. Kumara, N. K. Lokanath, I. Warad |
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| 3. |
Subject |
Discipline(s) |
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| 3. |
Subject |
Keyword(s) |
Cd(II) dimer, XRD, DFT, HSA. |
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| 4. |
Description |
Abstract |
Cadmium(II) dimer complex of type [Cd2(phen)2Cl4] was made available in a high yield, the structure of the dimer was solved by XRD then optimized via density functional theory (DFT) and Hirschfield computed methods. The structure parameters like: angles and bonds lengths were compared to their DFT-relatives, Hirschfield surface analysis (HAS), molecular electrostatic potential (MEP) and Mulliken charge populations were also matched to the XRD-packing collected result. The dimer was crystallized in the Triclinic/P-1 system with Z = 4. The two Cd(II) centers in the dimer found to be with a distorted square-pyramidal geometry. Crystallographic data for desired dimer was deposited to the Cambridge Crystallographic Center under CCDC No. 1911235. |
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| 5. |
Publisher |
Organizing agency, location |
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| 6. |
Contributor |
Sponsor(s) |
all |
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| 7. |
Date |
(YYYY-MM-DD) |
13-06-2019
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| 8. |
Type |
Status & genre |
Peer-reviewed Article |
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| 8. |
Type |
Type |
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| 9. |
Format |
File format |
PDF |
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| 10. |
Identifier |
Uniform Resource Identifier |
https://revues.imist.ma/index.php/morjchem/article/view/16070 |
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| 10. |
Identifier |
Digital Object Identifier (DOI) |
https://doi.org/10.48317/IMIST.PRSM/morjchem-v7i2.16070 |
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| 11. |
Source |
Title; vol., no. (year) |
Moroccan Journal of Chemistry; Vol 7, No 2 (2019) |
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| 12. |
Language |
English=en |
en |
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| 13. |
Relation |
Supp. Files |
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| 14. |
Coverage |
Geo-spatial location, chronological period, research sample (gender, age, etc.) |
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| 15. |
Rights |
Copyright and permissions |
Copyright (c) 2019 Moroccan Journal of Chemistry
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