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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 |
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 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 | ||||||
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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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DataCite XML Export
<?xml version='1.0' encoding='utf-8'?> <resource xmlns:xsi='http://www.w3.org/2001/XMLSchema-instance' xmlns='http://datacite.org/schema/kernel-3' xsi:schemaLocation='http://datacite.org/schema/kernel-3 http://schema.datacite.org/meta/kernel-3/metadata.xsd'> <identifier identifierType='DOI'>10.1039/d2nj01655a</identifier> <creators> <creator> <creatorName>Darii, M.N.</creatorName> <affiliation>Institutul de Fizică Aplicată, Moldova, Republica</affiliation> </creator> <creator> <creatorName>Beleaev (Nirca), E.S.</creatorName> <affiliation>Institutul de Fizică Aplicată, Moldova, Republica</affiliation> </creator> <creator> <creatorName>Kravţov, V.H.</creatorName> <affiliation>Institutul de Fizică Aplicată, Moldova, Republica</affiliation> </creator> <creator> <creatorName>Bouroş, P.N.</creatorName> <affiliation>Institutul de Fizică Aplicată, Moldova, Republica</affiliation> </creator> <creator> <creatorName>Ciumacov, I.M.</creatorName> <affiliation>Institutul de Fizică Aplicată, Moldova, Republica</affiliation> </creator> <creator> <creatorName>Hauser, J.</creatorName> <affiliation>Universitatea din Berna, Elveţia, Elveţia</affiliation> </creator> <creator> <creatorName>Decurtins, S.</creatorName> <affiliation>Universitatea din Berna, Elveţia, Elveţia</affiliation> </creator> <creator> <creatorName>Liu, S.</creatorName> <affiliation>Universitatea din Berna, Elveţia, Elveţia</affiliation> </creator> <creator> <creatorName>Sultanova, O.D.</creatorName> <affiliation>Institutul Ştiinţifico-Practic de Horticultură şi Tehnologii Alimentare, Moldova, Republica</affiliation> </creator> <creator> <creatorName>Baca, S.G.</creatorName> <affiliation>Institutul de Fizică Aplicată, Moldova, Republica</affiliation> </creator> </creators> <titles> <title xml:lang='en'>Crystalline multicomponent compounds involving hexaammine cobalt(III) cations</title> </titles> <publisher>Instrumentul Bibliometric National</publisher> <publicationYear>2022</publicationYear> <relatedIdentifier relatedIdentifierType='ISSN' relationType='IsPartOf'>1144-0546</relatedIdentifier> <subjects> <subject>Ammonia</subject> <subject>Carboxylation</subject> <subject>Hydrogen bonds</subject> <subject>Positive ions</subject> <subject>single crystals</subject> </subjects> <dates> <date dateType='Issued'>2022-05-23</date> </dates> <resourceType resourceTypeGeneral='Text'>Journal article</resourceType> <descriptions> <description xml:lang='en' descriptionType='Abstract'><p>A new series of multicomponent compounds containing the cation [Co(NH<sub>3</sub>)<sub>6</sub>]<sup>3+</sup> and various organic N-, N,O-, and O-donor moieties has been synthesized and crystallized. The series involves [Co(NH<sub>3</sub>)<sub>6</sub>]Cl<sub>3</sub>·2(phen)·3H<sub>2</sub>O (1), [Co(NH<sub>3</sub>)<sub>6</sub>](Hbdc)(bdc)·3H<sub>2</sub>O (2), [Co(NH<sub>3</sub>)<sub>6</sub>]Cl<sub>2</sub>(Hpht)·3H<sub>2</sub>O (3), [Co(NH<sub>3</sub>)<sub>6</sub>]Cl(Hpht)<sub>2</sub>·3H<sub>2</sub>O (4), [Co(NH<sub>3</sub>)<sub>6</sub>]Cl(2,3-pdc)·H<sub>2</sub>O (5), [Co(NH<sub>3</sub>)<sub>6</sub>]<sub>11</sub>[Co(2,5-pdc)<sub>3</sub>]<sub>8</sub>Cl·84H<sub>2</sub>O (6), [Co(NH<sub>3</sub>)<sub>6</sub>][Co(3,5-pdc)<sub>2</sub>(H<sub>2</sub>O)<sub>4</sub>]Cl·3H<sub>2</sub>O (7), [Co(NH<sub>3</sub>)<sub>6</sub>]Cl(sb)·4H<sub>2</sub>O (8), and [Co(NH<sub>3</sub>)<sub>6</sub>]<sub>2</sub>(sb)<sub>3</sub>·EtOH·2.5H<sub>2</sub>O (9) (where phen = 1,10-phenanthroline, H<sub>2</sub>bdc = diphenyl-4,4′-dicarboxylic acid, H<sub>2</sub>pht = o-phthalic acid, H<sub>2</sub>pdc = 2,3-/2,5-/3,5-pyridinedicarboxylic acid, H<sub>2</sub>sb = 4-sulfobenzoic acid). Single crystal X-ray diffraction studies have revealed that in these compounds the [Co(NH<sub>3</sub>)<sub>6</sub>]<sup>3+</sup> 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(NH<sub>3</sub>)<sub>6</sub>]<sup>3+</sup> cations, compounds 1-9 contain in changing composition Cl<sup>−</sup>, deprotonated phthalate, diphenyldicarboxylate, pyridinedicarboxylate, and sulfonate anions or complex [Co(2,5-pdc)<sub>3</sub>]<sup>4−</sup> and [Co(3,5-pdc)<sub>2</sub>(H<sub>2</sub>O)<sub>4</sub>]<sup>2−</sup> 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(NH<sub>3</sub>)<sub>6</sub>]<sup>3+</sup> 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.</p></description> </descriptions> <formats> <format>uri</format> </formats> </resource>
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