Anion mediated switching from mono- to polymer structure in copper(II) complexes with 4,6-dimethylpyrimidinylhydrazone 1-phenyl-3-methyl-4-formylpyrazol-5-one
[Display omitted] •Cu(II) Complexes were synthesized based on hetarylhydrazone pyrazol-5-one derivative.•The structure of the compounds were studied by experimental and theoretical methods.•Mono- or polymer structure of complexes Cu(II) is dependent on salt anion. The novel hetarylhydrazone (H2L) ha...
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| Veröffentlicht in: | Inorganica Chimica Acta 2020-03, Vol.502, p.119284, Article 119284 |
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| creator | Lyubchenko, Sergey N. Shcherbakov, Igor N. Tupolova, Yulia P. Popov, Leonid D. Levchenkov, Sergey I. Morozov, Andrey N. Borodkin, Sergey A. Lazarenko, Vladimir A. Khrustalev, Victor N. Zubavichus, Yan V. Minin, Vadim V. |
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•Cu(II) Complexes were synthesized based on hetarylhydrazone pyrazol-5-one derivative.•The structure of the compounds were studied by experimental and theoretical methods.•Mono- or polymer structure of complexes Cu(II) is dependent on salt anion.
The novel hetarylhydrazone (H2L) has been synthesized by condensation of 2-hydrazino-4,6-dimethylpyrimidine with 1-phenyl-3-methyl-4-formylpyrazol-5-one and its complexes with CuCl2 and Cu(ClO4)2 have been obtained. The structures of the compounds were studied by means of NMR, IR, ESR spectroscopy, magnetic susceptibility measurements and X-Ray diffraction methods. The quantum-chemical modelling of the geometry and electronic structure of the hetarylhydrazone’s tautomers has been carried out. The influence of the nature of acido-ligand on the structure of complex compounds has been established. Copper(II) chloride gives mono-nuclear complex [Cu(H2L)Cl2].H2O, while copper(II) perchlorate yields the polymeric structure ([Cu(HL)(CH3OH)]ClO4)n. For polymer compound no magnetic exchange interactions were detected. |
| doi_str_mv | 10.1016/j.ica.2019.119284 |
| format | Article |
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•Cu(II) Complexes were synthesized based on hetarylhydrazone pyrazol-5-one derivative.•The structure of the compounds were studied by experimental and theoretical methods.•Mono- or polymer structure of complexes Cu(II) is dependent on salt anion.
The novel hetarylhydrazone (H2L) has been synthesized by condensation of 2-hydrazino-4,6-dimethylpyrimidine with 1-phenyl-3-methyl-4-formylpyrazol-5-one and its complexes with CuCl2 and Cu(ClO4)2 have been obtained. The structures of the compounds were studied by means of NMR, IR, ESR spectroscopy, magnetic susceptibility measurements and X-Ray diffraction methods. The quantum-chemical modelling of the geometry and electronic structure of the hetarylhydrazone’s tautomers has been carried out. The influence of the nature of acido-ligand on the structure of complex compounds has been established. Copper(II) chloride gives mono-nuclear complex [Cu(H2L)Cl2].H2O, while copper(II) perchlorate yields the polymeric structure ([Cu(HL)(CH3OH)]ClO4)n. For polymer compound no magnetic exchange interactions were detected.</description><identifier>ISSN: 0020-1693</identifier><identifier>EISSN: 1873-3255</identifier><identifier>DOI: 10.1016/j.ica.2019.119284</identifier><language>eng</language><publisher>Amsterdam: Elsevier B.V</publisher><subject>Complex compounds ; Coordination compounds ; Copper chloride ; Copper compounds ; Crystal structure ; Cu(II) complex ; DFT ; Electronic structure ; Hetarylhydrazone ; Infrared spectroscopy ; Magnetic permeability ; NMR ; Nuclear magnetic resonance ; Organic chemistry ; Polymers ; Pyrazolone ; Quantum chemistry ; Tautomers</subject><ispartof>Inorganica Chimica Acta, 2020-03, Vol.502, p.119284, Article 119284</ispartof><rights>2019 Elsevier B.V.</rights><rights>Copyright Elsevier Science Ltd. Mar 1, 2020</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c325t-2aa842653dede6575084b706926317fc7cd5863ab68f685eaf8982989943f9703</citedby><cites>FETCH-LOGICAL-c325t-2aa842653dede6575084b706926317fc7cd5863ab68f685eaf8982989943f9703</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://www.sciencedirect.com/science/article/pii/S0020169319311491$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>314,776,780,3537,27901,27902,65306</link.rule.ids></links><search><creatorcontrib>Lyubchenko, Sergey N.</creatorcontrib><creatorcontrib>Shcherbakov, Igor N.</creatorcontrib><creatorcontrib>Tupolova, Yulia P.</creatorcontrib><creatorcontrib>Popov, Leonid D.</creatorcontrib><creatorcontrib>Levchenkov, Sergey I.</creatorcontrib><creatorcontrib>Morozov, Andrey N.</creatorcontrib><creatorcontrib>Borodkin, Sergey A.</creatorcontrib><creatorcontrib>Lazarenko, Vladimir A.</creatorcontrib><creatorcontrib>Khrustalev, Victor N.</creatorcontrib><creatorcontrib>Zubavichus, Yan V.</creatorcontrib><creatorcontrib>Minin, Vadim V.</creatorcontrib><title>Anion mediated switching from mono- to polymer structure in copper(II) complexes with 4,6-dimethylpyrimidinylhydrazone 1-phenyl-3-methyl-4-formylpyrazol-5-one</title><title>Inorganica Chimica Acta</title><description>[Display omitted]
•Cu(II) Complexes were synthesized based on hetarylhydrazone pyrazol-5-one derivative.•The structure of the compounds were studied by experimental and theoretical methods.•Mono- or polymer structure of complexes Cu(II) is dependent on salt anion.
The novel hetarylhydrazone (H2L) has been synthesized by condensation of 2-hydrazino-4,6-dimethylpyrimidine with 1-phenyl-3-methyl-4-formylpyrazol-5-one and its complexes with CuCl2 and Cu(ClO4)2 have been obtained. The structures of the compounds were studied by means of NMR, IR, ESR spectroscopy, magnetic susceptibility measurements and X-Ray diffraction methods. The quantum-chemical modelling of the geometry and electronic structure of the hetarylhydrazone’s tautomers has been carried out. The influence of the nature of acido-ligand on the structure of complex compounds has been established. Copper(II) chloride gives mono-nuclear complex [Cu(H2L)Cl2].H2O, while copper(II) perchlorate yields the polymeric structure ([Cu(HL)(CH3OH)]ClO4)n. For polymer compound no magnetic exchange interactions were detected.</description><subject>Complex compounds</subject><subject>Coordination compounds</subject><subject>Copper chloride</subject><subject>Copper compounds</subject><subject>Crystal structure</subject><subject>Cu(II) complex</subject><subject>DFT</subject><subject>Electronic structure</subject><subject>Hetarylhydrazone</subject><subject>Infrared spectroscopy</subject><subject>Magnetic permeability</subject><subject>NMR</subject><subject>Nuclear magnetic resonance</subject><subject>Organic chemistry</subject><subject>Polymers</subject><subject>Pyrazolone</subject><subject>Quantum chemistry</subject><subject>Tautomers</subject><issn>0020-1693</issn><issn>1873-3255</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2020</creationdate><recordtype>article</recordtype><recordid>eNp9kcuKFTEQhoMoeBx9AHcBNwrmmEsnneBqGLwcGHCj65BJqu0cupM26aO2D-OzmrFdu6qi-P66_Qg9Z_TIKFNvzsfo3ZFTZo6MGa67B-jAdC-I4FI-RAdKOSVMGfEYPan1TKmgSsgD-n2dYk54hhDdCgHXH3H1Y0xf8VDyjOecMsFrxkuethkKrmu5-PVSAMeEfV4WKC9Pp1ctnZcJfkLFrcGIu9eKhDjDOm7TspU4xxDTNo1bKO5XToAZWUZoFSLITpGODLnMf_GGTESSxj1FjwY3VXj2L16hL-_ffb75SG4_fTjdXN8S3-5bCXdOd1xJESCAkr2kurvrqTJcCdYPvvdBaiXcndKD0hLcoI3mRhvTicH0VFyhF3vfpeRvF6irPedLSW2k5UJKI2XfqUaxnfIl11pgsEs7zZXNMmrvbbBn22yw9zbY3YamebtroK3_PUKx1UdIvj28gF9tyPE_6j_1pJGV</recordid><startdate>20200301</startdate><enddate>20200301</enddate><creator>Lyubchenko, Sergey N.</creator><creator>Shcherbakov, Igor N.</creator><creator>Tupolova, Yulia P.</creator><creator>Popov, Leonid D.</creator><creator>Levchenkov, Sergey I.</creator><creator>Morozov, Andrey N.</creator><creator>Borodkin, Sergey A.</creator><creator>Lazarenko, Vladimir A.</creator><creator>Khrustalev, Victor N.</creator><creator>Zubavichus, Yan V.</creator><creator>Minin, Vadim V.</creator><general>Elsevier B.V</general><general>Elsevier Science Ltd</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope></search><sort><creationdate>20200301</creationdate><title>Anion mediated switching from mono- to polymer structure in copper(II) complexes with 4,6-dimethylpyrimidinylhydrazone 1-phenyl-3-methyl-4-formylpyrazol-5-one</title><author>Lyubchenko, Sergey N. ; Shcherbakov, Igor N. ; Tupolova, Yulia P. ; Popov, Leonid D. ; Levchenkov, Sergey I. ; Morozov, Andrey N. ; Borodkin, Sergey A. ; Lazarenko, Vladimir A. ; Khrustalev, Victor N. ; Zubavichus, Yan V. ; Minin, Vadim V.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c325t-2aa842653dede6575084b706926317fc7cd5863ab68f685eaf8982989943f9703</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2020</creationdate><topic>Complex compounds</topic><topic>Coordination compounds</topic><topic>Copper chloride</topic><topic>Copper compounds</topic><topic>Crystal structure</topic><topic>Cu(II) complex</topic><topic>DFT</topic><topic>Electronic structure</topic><topic>Hetarylhydrazone</topic><topic>Infrared spectroscopy</topic><topic>Magnetic permeability</topic><topic>NMR</topic><topic>Nuclear magnetic resonance</topic><topic>Organic chemistry</topic><topic>Polymers</topic><topic>Pyrazolone</topic><topic>Quantum chemistry</topic><topic>Tautomers</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Lyubchenko, Sergey N.</creatorcontrib><creatorcontrib>Shcherbakov, Igor N.</creatorcontrib><creatorcontrib>Tupolova, Yulia P.</creatorcontrib><creatorcontrib>Popov, Leonid D.</creatorcontrib><creatorcontrib>Levchenkov, Sergey I.</creatorcontrib><creatorcontrib>Morozov, Andrey N.</creatorcontrib><creatorcontrib>Borodkin, Sergey A.</creatorcontrib><creatorcontrib>Lazarenko, Vladimir A.</creatorcontrib><creatorcontrib>Khrustalev, Victor N.</creatorcontrib><creatorcontrib>Zubavichus, Yan V.</creatorcontrib><creatorcontrib>Minin, Vadim V.</creatorcontrib><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><jtitle>Inorganica Chimica Acta</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Lyubchenko, Sergey N.</au><au>Shcherbakov, Igor N.</au><au>Tupolova, Yulia P.</au><au>Popov, Leonid D.</au><au>Levchenkov, Sergey I.</au><au>Morozov, Andrey N.</au><au>Borodkin, Sergey A.</au><au>Lazarenko, Vladimir A.</au><au>Khrustalev, Victor N.</au><au>Zubavichus, Yan V.</au><au>Minin, Vadim V.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Anion mediated switching from mono- to polymer structure in copper(II) complexes with 4,6-dimethylpyrimidinylhydrazone 1-phenyl-3-methyl-4-formylpyrazol-5-one</atitle><jtitle>Inorganica Chimica Acta</jtitle><date>2020-03-01</date><risdate>2020</risdate><volume>502</volume><spage>119284</spage><pages>119284-</pages><artnum>119284</artnum><issn>0020-1693</issn><eissn>1873-3255</eissn><abstract>[Display omitted]
•Cu(II) Complexes were synthesized based on hetarylhydrazone pyrazol-5-one derivative.•The structure of the compounds were studied by experimental and theoretical methods.•Mono- or polymer structure of complexes Cu(II) is dependent on salt anion.
The novel hetarylhydrazone (H2L) has been synthesized by condensation of 2-hydrazino-4,6-dimethylpyrimidine with 1-phenyl-3-methyl-4-formylpyrazol-5-one and its complexes with CuCl2 and Cu(ClO4)2 have been obtained. The structures of the compounds were studied by means of NMR, IR, ESR spectroscopy, magnetic susceptibility measurements and X-Ray diffraction methods. The quantum-chemical modelling of the geometry and electronic structure of the hetarylhydrazone’s tautomers has been carried out. The influence of the nature of acido-ligand on the structure of complex compounds has been established. Copper(II) chloride gives mono-nuclear complex [Cu(H2L)Cl2].H2O, while copper(II) perchlorate yields the polymeric structure ([Cu(HL)(CH3OH)]ClO4)n. For polymer compound no magnetic exchange interactions were detected.</abstract><cop>Amsterdam</cop><pub>Elsevier B.V</pub><doi>10.1016/j.ica.2019.119284</doi></addata></record> |
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| subjects | Complex compounds Coordination compounds Copper chloride Copper compounds Crystal structure Cu(II) complex DFT Electronic structure Hetarylhydrazone Infrared spectroscopy Magnetic permeability NMR Nuclear magnetic resonance Organic chemistry Polymers Pyrazolone Quantum chemistry Tautomers |
| title | Anion mediated switching from mono- to polymer structure in copper(II) complexes with 4,6-dimethylpyrimidinylhydrazone 1-phenyl-3-methyl-4-formylpyrazol-5-one |
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