| Conţinutul numărului revistei |
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 SM ISO690:2012DARII, Mariana, NIRCA, Ecaterina, KRAVTSOV, Victor, BOUROSH, Pavlina, CHUMAKOV, Yurii, HAUSER, J, DECURTINS, Silvio, LIU, Shi-Xia, SULTANOVA, Olga, BACA, Svetlana. Crystalline multicomponent compounds involving hexaammine cobalt(III) cations. In: New Journal of Chemistry, 2022, nr. 23(46), pp. 11404-11421. ISSN 1144-0546. DOI: https://doi.org/10.1039/d2nj01655a |
| EXPORT metadate: Google Scholar Crossref CERIF DataCite Dublin Core |
 New Journal of Chemistry |
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| Numărul 23(46) / 2022 / ISSN 1144-0546 | ||||||
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| DOI:https://doi.org/10.1039/d2nj01655a | ||||||
| Pag. 11404-11421 | ||||||
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A new series of multicomponent compounds containing the cation [Co(NH3)6]3+ and various organic N-, N,O-, and O-donor moieties has been synthesized and crystallized. The series involves [Co(NH3)6]Cl3·2(phen)·3H2O (1), [Co(NH3)6](Hbdc)(bdc)·3H2O (2), [Co(NH3)6]Cl2(Hpht)·3H2O (3), [Co(NH3)6]Cl(Hpht)2·3H2O (4), [Co(NH3)6]Cl(2,3-pdc)·H2O (5), [Co(NH3)6]11[Co(2,5-pdc)3]8Cl·84H2O (6), [Co(NH3)6][Co(3,5-pdc)2(H2O)4]Cl·3H2O (7), [Co(NH3)6]Cl(sb)·4H2O (8), and [Co(NH3)6]2(sb)3·EtOH·2.5H2O (9) (where phen = 1,10-phenanthroline, H2bdc = diphenyl-4,4′-dicarboxylic acid, H2pht = o-phthalic acid, H2pdc = 2,3-/2,5-/3,5-pyridinedicarboxylic acid, H2sb = 4-sulfobenzoic acid). Single crystal X-ray diffraction studies have revealed that in these compounds the [Co(NH3)6]3+ cation serves as a building block for the incorporation of various anions/molecules and promotes the formation of multicomponent compounds with extended charge-supported networks between cations and anions and others such as H-bonds between charged⋯neutral and neutral⋯neutral components as well as π-π stacking interactions. In addition to the [Co(NH3)6]3+ cations, compounds 1-9 contain in changing composition Cl−, deprotonated phthalate, diphenyldicarboxylate, pyridinedicarboxylate, and sulfonate anions or complex [Co(2,5-pdc)3]4− and [Co(3,5-pdc)2(H2O)4]2− anions, as well as neutral 1,10-phenanthroline and ethanol and water molecules as components of the crystallization. Hirshfeld surface analysis was also performed to discuss the strength of hydrogen bonds and to quantify the inter-contacts. Energy decomposition analysis of the intermolecular interaction energy was performed using the SAPT method to study the non-covalent bonding interactions of [Co(NH3)6]3+ cations with mono-, dianions and neutral molecules, and it was found that the calculated bonding energy for compound 1 is minimal. Compounds 1-9 were tested in vitro against Rhizobium (Agrobacterium) vitis, an oncogenic bacterium that causes tumor formation in plants. Compound 1, comprising hexaammine cobalt(iii) chloride and 1,10-phenanthroline, showed the highest inhibitory potential and is thus qualified for an application against bacterial cancer in plants. |
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| Cuvinte-cheie Ammonia, Carboxylation, Hydrogen bonds, Positive ions, single crystals |
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