Reversible First-Order Single Crystal to Single Crystal Thermal Phase Transition in [(CH3)3CNH3]4[V4O12]
The well-known compound tetrakis(tert-butylammonium)-cyclo-tetrametavanadate (V), [(CH3)3CNH3]4[V4O12] (1h_RT), which crystallizes in the tetragonal I4/m space group, undergoes an irreversible solid state transformation upon heating, constituting one of the few examples in which the initial and the...
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| Veröffentlicht in: | Materials 2022-08, Vol.15 (16), p.5663 |
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| creator | Vitoria, Pablo Wéry, Ana San Felices, Leire Bravo-García, Laura Ruiz-Bilbao, Estibaliz Laza, José Vilas, José Gutiérrez-Zorrilla, Juan |
| description | The well-known compound tetrakis(tert-butylammonium)-cyclo-tetrametavanadate (V), [(CH3)3CNH3]4[V4O12] (1h_RT), which crystallizes in the tetragonal I4/m space group, undergoes an irreversible solid state transformation upon heating, constituting one of the few examples in which the initial and the final stages are structurally characterized by sc-XRD. Now, we observed the ability of the same compound to undergo an additional single-crystal-to-single-crystal (SCSC) transformation upon thermal stimuli, but this time at low temperatures (153 K). Compound 1h_RT contains a discrete unprotonated [V4O12]4− tetrahedral anion in which V and O bridging atoms are coplanar. In both phases, these tetrameric anions are linked through tert-butylammonium cations in an extensive network of hydrogen bonds, but at low temperatures, this phase loses its characteristic O-V-O coplanarity, with the resulting rearrangement of the crystal packing and hydrogen-bond network which provide its reversibility at low temperatures. Again, the initial and final stages have been characterized structurally by sc-XRD. |
| doi_str_mv | 10.3390/ma15165663 |
| format | Article |
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Now, we observed the ability of the same compound to undergo an additional single-crystal-to-single-crystal (SCSC) transformation upon thermal stimuli, but this time at low temperatures (153 K). Compound 1h_RT contains a discrete unprotonated [V4O12]4− tetrahedral anion in which V and O bridging atoms are coplanar. In both phases, these tetrameric anions are linked through tert-butylammonium cations in an extensive network of hydrogen bonds, but at low temperatures, this phase loses its characteristic O-V-O coplanarity, with the resulting rearrangement of the crystal packing and hydrogen-bond network which provide its reversibility at low temperatures. Again, the initial and final stages have been characterized structurally by sc-XRD.</description><identifier>ISSN: 1996-1944</identifier><identifier>EISSN: 1996-1944</identifier><identifier>DOI: 10.3390/ma15165663</identifier><identifier>PMID: 36013800</identifier><language>eng</language><publisher>Basel: MDPI AG</publisher><subject>Anions ; Cooling ; Coplanarity ; Crystal structure ; Data collection ; High temperature ; Hydrogen bonds ; Low temperature ; Oxygen ; Phase transitions ; Single crystals ; Spectrum analysis ; Thermal transformations</subject><ispartof>Materials, 2022-08, Vol.15 (16), p.5663</ispartof><rights>2022 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). 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Now, we observed the ability of the same compound to undergo an additional single-crystal-to-single-crystal (SCSC) transformation upon thermal stimuli, but this time at low temperatures (153 K). Compound 1h_RT contains a discrete unprotonated [V4O12]4− tetrahedral anion in which V and O bridging atoms are coplanar. In both phases, these tetrameric anions are linked through tert-butylammonium cations in an extensive network of hydrogen bonds, but at low temperatures, this phase loses its characteristic O-V-O coplanarity, with the resulting rearrangement of the crystal packing and hydrogen-bond network which provide its reversibility at low temperatures. Again, the initial and final stages have been characterized structurally by sc-XRD.</description><subject>Anions</subject><subject>Cooling</subject><subject>Coplanarity</subject><subject>Crystal structure</subject><subject>Data collection</subject><subject>High temperature</subject><subject>Hydrogen bonds</subject><subject>Low temperature</subject><subject>Oxygen</subject><subject>Phase transitions</subject><subject>Single crystals</subject><subject>Spectrum analysis</subject><subject>Thermal transformations</subject><issn>1996-1944</issn><issn>1996-1944</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2022</creationdate><recordtype>article</recordtype><sourceid>BENPR</sourceid><recordid>eNpdkVtLxDAQhYMorqz74i8o-KJCNWnSNHkRpKgriCu6-iIS0nSyG-lFk1bw39vFxdu8zDDzcTjDQWiP4GNKJT6pNUkJTzmnG2iHSMljIhnb_DWP0CSEFzwUpUQkchuNKMeECox30PIO3sEHV1QQXTgfunjmS_DRvWsWwyr3H6HTVdS1_zfzJfh66LdLHSCae90E17m2iVwTPR3kU3pI85spfWZPj2xGkuddtGV1FWCy7mP0cHE-z6fx9ezyKj-7jk0iBY2NsVhDIlIBjAliU81LW1pJKLcFGKOFxanFxorS6CQpoBAFlIymGbPWEkHH6PRL97UvaigNNJ3XlXr1rtb-Q7Xaqb-Xxi3Von1XkhFOuBwEDtYCvn3rIXSqdsFAVekG2j6oJMOZoFnK2IDu_0Nf2t43w3sriicZH4wN1NEXZXwbggf7bYZgtcpQ_WRIPwH3BIz1</recordid><startdate>20220817</startdate><enddate>20220817</enddate><creator>Vitoria, Pablo</creator><creator>Wéry, Ana</creator><creator>San Felices, Leire</creator><creator>Bravo-García, Laura</creator><creator>Ruiz-Bilbao, Estibaliz</creator><creator>Laza, José</creator><creator>Vilas, José</creator><creator>Gutiérrez-Zorrilla, Juan</creator><general>MDPI AG</general><general>MDPI</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>8FD</scope><scope>8FE</scope><scope>8FG</scope><scope>ABJCF</scope><scope>ABUWG</scope><scope>AFKRA</scope><scope>AZQEC</scope><scope>BENPR</scope><scope>BGLVJ</scope><scope>CCPQU</scope><scope>D1I</scope><scope>DWQXO</scope><scope>HCIFZ</scope><scope>JG9</scope><scope>KB.</scope><scope>PDBOC</scope><scope>PIMPY</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>PRINS</scope><scope>7X8</scope><scope>5PM</scope><orcidid>https://orcid.org/0000-0003-0412-621X</orcidid><orcidid>https://orcid.org/0000-0002-8287-9885</orcidid><orcidid>https://orcid.org/0000-0001-8777-8533</orcidid></search><sort><creationdate>20220817</creationdate><title>Reversible First-Order Single Crystal to Single Crystal Thermal Phase Transition in [(CH3)3CNH3]4[V4O12]</title><author>Vitoria, Pablo ; 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Now, we observed the ability of the same compound to undergo an additional single-crystal-to-single-crystal (SCSC) transformation upon thermal stimuli, but this time at low temperatures (153 K). Compound 1h_RT contains a discrete unprotonated [V4O12]4− tetrahedral anion in which V and O bridging atoms are coplanar. In both phases, these tetrameric anions are linked through tert-butylammonium cations in an extensive network of hydrogen bonds, but at low temperatures, this phase loses its characteristic O-V-O coplanarity, with the resulting rearrangement of the crystal packing and hydrogen-bond network which provide its reversibility at low temperatures. 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| source | MDPI - Multidisciplinary Digital Publishing Institute; Elektronische Zeitschriftenbibliothek - Frei zugängliche E-Journals; PubMed Central; Free Full-Text Journals in Chemistry; PubMed Central Open Access |
| subjects | Anions Cooling Coplanarity Crystal structure Data collection High temperature Hydrogen bonds Low temperature Oxygen Phase transitions Single crystals Spectrum analysis Thermal transformations |
| title | Reversible First-Order Single Crystal to Single Crystal Thermal Phase Transition in [(CH3)3CNH3]4[V4O12] |
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