Crystal structure, physicochemical, electrochemical studies and theoretical calculation of a new organic–inorganic hybrids with Keggin polyanions
We have synthesized and crystallized a new inorganic–organic hybrid compound, (C 4 H 7 N 2 ) 2 [HPW 12 O 40 ] (1) . Single-crystal X-ray analysis was carried out, compound (1) crystallizes in the monoclinic system, space group C 2/m, and Z = 8. The data were characterized by IR spectrum, UV–Vis spe...
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| Veröffentlicht in: | Journal of the Iranian Chemical Society 2022-11, Vol.19 (11), p.4317-4325 |
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| container_title | Journal of the Iranian Chemical Society |
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| creator | Dhifi, Marwa Azmani, Khalid Haddad, Amor |
| description | We have synthesized and crystallized a new inorganic–organic hybrid compound, (C
4
H
7
N
2
)
2
[HPW
12
O
40
]
(1)
. Single-crystal X-ray analysis was carried out, compound
(1)
crystallizes in the monoclinic system, space group
C
2/m, and
Z
= 8. The data were characterized by IR spectrum, UV–Vis spectra, and cyclic voltammeter completed by DFT calculations. Structural analyses of
1
suggested that polyanion in the compound was linked to 2-methylimidazolium through electrostatic interaction and hydrogen bonding. Hirshfeld surface analyses, especially dnorm surface and fingerprint plots were used for decoding intermolecular interactions in the crystal network. The experimental results are in agreement with the DFT calculation especially for bridging M–O bonds. |
| doi_str_mv | 10.1007/s13738-022-02600-0 |
| format | Article |
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4
H
7
N
2
)
2
[HPW
12
O
40
]
(1)
. Single-crystal X-ray analysis was carried out, compound
(1)
crystallizes in the monoclinic system, space group
C
2/m, and
Z
= 8. The data were characterized by IR spectrum, UV–Vis spectra, and cyclic voltammeter completed by DFT calculations. Structural analyses of
1
suggested that polyanion in the compound was linked to 2-methylimidazolium through electrostatic interaction and hydrogen bonding. Hirshfeld surface analyses, especially dnorm surface and fingerprint plots were used for decoding intermolecular interactions in the crystal network. The experimental results are in agreement with the DFT calculation especially for bridging M–O bonds.</description><identifier>ISSN: 1735-207X</identifier><identifier>EISSN: 1735-2428</identifier><identifier>DOI: 10.1007/s13738-022-02600-0</identifier><language>eng</language><publisher>Berlin/Heidelberg: Springer Berlin Heidelberg</publisher><subject>Analytical Chemistry ; Biochemistry ; Chemistry ; Chemistry and Materials Science ; Crystal structure ; Crystallization ; Hydrogen bonding ; Inorganic Chemistry ; Mathematical analysis ; Organic Chemistry ; Physical Chemistry ; Polyelectrolytes ; Review ; Single crystals ; X ray analysis</subject><ispartof>Journal of the Iranian Chemical Society, 2022-11, Vol.19 (11), p.4317-4325</ispartof><rights>Iranian Chemical Society 2022. Springer Nature or its licensor holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><cites>FETCH-LOGICAL-c200t-828c843253a1e730ee60c7cde7d9c8c08bbe792235bf116b89f8462d9e3b741c3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1007/s13738-022-02600-0$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1007/s13738-022-02600-0$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>314,776,780,27901,27902,41464,42533,51294</link.rule.ids></links><search><creatorcontrib>Dhifi, Marwa</creatorcontrib><creatorcontrib>Azmani, Khalid</creatorcontrib><creatorcontrib>Haddad, Amor</creatorcontrib><title>Crystal structure, physicochemical, electrochemical studies and theoretical calculation of a new organic–inorganic hybrids with Keggin polyanions</title><title>Journal of the Iranian Chemical Society</title><addtitle>J IRAN CHEM SOC</addtitle><description>We have synthesized and crystallized a new inorganic–organic hybrid compound, (C
4
H
7
N
2
)
2
[HPW
12
O
40
]
(1)
. Single-crystal X-ray analysis was carried out, compound
(1)
crystallizes in the monoclinic system, space group
C
2/m, and
Z
= 8. The data were characterized by IR spectrum, UV–Vis spectra, and cyclic voltammeter completed by DFT calculations. Structural analyses of
1
suggested that polyanion in the compound was linked to 2-methylimidazolium through electrostatic interaction and hydrogen bonding. Hirshfeld surface analyses, especially dnorm surface and fingerprint plots were used for decoding intermolecular interactions in the crystal network. The experimental results are in agreement with the DFT calculation especially for bridging M–O bonds.</description><subject>Analytical Chemistry</subject><subject>Biochemistry</subject><subject>Chemistry</subject><subject>Chemistry and Materials Science</subject><subject>Crystal structure</subject><subject>Crystallization</subject><subject>Hydrogen bonding</subject><subject>Inorganic Chemistry</subject><subject>Mathematical analysis</subject><subject>Organic Chemistry</subject><subject>Physical Chemistry</subject><subject>Polyelectrolytes</subject><subject>Review</subject><subject>Single crystals</subject><subject>X ray analysis</subject><issn>1735-207X</issn><issn>1735-2428</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2022</creationdate><recordtype>article</recordtype><recordid>eNp9kM9q3DAQxk1poJtNXqAnQa_rdCTZK_lYlvwpXeglgdyELI_XCl5pK8kE3_oOecM-SZRsmt56GGaY-b5v4FcUnylcUADxNVIuuCyBsVxrgBI-FAsqeF2yismPf2cQ95-K0xgfAGoBdbUonjZhjkmPJKYwmTQFXJHDMEdrvBlwb40eVwRHNCm8L7J26ixGol1H0oA-YHrd5zLTqJP1jvieaOLwkfiw086aP7-frHubyTC3wXaRPNo0kB-421lHDn6c89G7eFac9HqMeP7Wl8Xd1eXt5qbc_rz-vvm2LQ0DSKVk0siKs5prioID4hqMMB2KrjHSgGxbFA1jvG57StetbHpZrVnXIG9FRQ1fFl-OuYfgf00Yk3rwU3D5pWKCsSaDBZlV7KgywccYsFeHYPc6zIqCeoGvjvBVhq9e4SvIJn40xSx2Owz_ov_jegbE4Iwm</recordid><startdate>20221101</startdate><enddate>20221101</enddate><creator>Dhifi, Marwa</creator><creator>Azmani, Khalid</creator><creator>Haddad, Amor</creator><general>Springer Berlin Heidelberg</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>20221101</creationdate><title>Crystal structure, physicochemical, electrochemical studies and theoretical calculation of a new organic–inorganic hybrids with Keggin polyanions</title><author>Dhifi, Marwa ; Azmani, Khalid ; Haddad, Amor</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c200t-828c843253a1e730ee60c7cde7d9c8c08bbe792235bf116b89f8462d9e3b741c3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2022</creationdate><topic>Analytical Chemistry</topic><topic>Biochemistry</topic><topic>Chemistry</topic><topic>Chemistry and Materials Science</topic><topic>Crystal structure</topic><topic>Crystallization</topic><topic>Hydrogen bonding</topic><topic>Inorganic Chemistry</topic><topic>Mathematical analysis</topic><topic>Organic Chemistry</topic><topic>Physical Chemistry</topic><topic>Polyelectrolytes</topic><topic>Review</topic><topic>Single crystals</topic><topic>X ray analysis</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Dhifi, Marwa</creatorcontrib><creatorcontrib>Azmani, Khalid</creatorcontrib><creatorcontrib>Haddad, Amor</creatorcontrib><collection>CrossRef</collection><jtitle>Journal of the Iranian Chemical Society</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Dhifi, Marwa</au><au>Azmani, Khalid</au><au>Haddad, Amor</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Crystal structure, physicochemical, electrochemical studies and theoretical calculation of a new organic–inorganic hybrids with Keggin polyanions</atitle><jtitle>Journal of the Iranian Chemical Society</jtitle><stitle>J IRAN CHEM SOC</stitle><date>2022-11-01</date><risdate>2022</risdate><volume>19</volume><issue>11</issue><spage>4317</spage><epage>4325</epage><pages>4317-4325</pages><issn>1735-207X</issn><eissn>1735-2428</eissn><abstract>We have synthesized and crystallized a new inorganic–organic hybrid compound, (C
4
H
7
N
2
)
2
[HPW
12
O
40
]
(1)
. Single-crystal X-ray analysis was carried out, compound
(1)
crystallizes in the monoclinic system, space group
C
2/m, and
Z
= 8. The data were characterized by IR spectrum, UV–Vis spectra, and cyclic voltammeter completed by DFT calculations. Structural analyses of
1
suggested that polyanion in the compound was linked to 2-methylimidazolium through electrostatic interaction and hydrogen bonding. Hirshfeld surface analyses, especially dnorm surface and fingerprint plots were used for decoding intermolecular interactions in the crystal network. The experimental results are in agreement with the DFT calculation especially for bridging M–O bonds.</abstract><cop>Berlin/Heidelberg</cop><pub>Springer Berlin Heidelberg</pub><doi>10.1007/s13738-022-02600-0</doi><tpages>9</tpages></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 1735-207X |
| ispartof | Journal of the Iranian Chemical Society, 2022-11, Vol.19 (11), p.4317-4325 |
| issn | 1735-207X 1735-2428 |
| language | eng |
| recordid | cdi_proquest_journals_2722900708 |
| source | SpringerLink Journals |
| subjects | Analytical Chemistry Biochemistry Chemistry Chemistry and Materials Science Crystal structure Crystallization Hydrogen bonding Inorganic Chemistry Mathematical analysis Organic Chemistry Physical Chemistry Polyelectrolytes Review Single crystals X ray analysis |
| title | Crystal structure, physicochemical, electrochemical studies and theoretical calculation of a new organic–inorganic hybrids with Keggin polyanions |
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