Crystal Structure and Phase Transition of the C–H···F–H-Bonded Supramolecular Compound with 4-Nitroanilinium Based on 18-Crown-6
A novel inorganic-organic hybrid supramolecular macrocyclic compound, (4-nitroanilinium)(18-crown-6)(PF6)(1), was synthesized and characterized by infrared spectroscopy, thermogravimetric analysis, elemental analysis, differential scanning calorimetry (DSC), and single-crystal X-ray diffraction. Cry...
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MDPI AG
2017-09-01
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| Series: | Crystals |
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| Online Access: | https://www.mdpi.com/2073-4352/7/9/276 |
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doaj-d1046a5f26454498b7c98d50b226cd8e2020-11-25T00:46:48ZengMDPI AGCrystals2073-43522017-09-017927610.3390/cryst7090276cryst7090276Crystal Structure and Phase Transition of the C–H···F–H-Bonded Supramolecular Compound with 4-Nitroanilinium Based on 18-Crown-6Chun-li Zhu0Yang Liu1Kun Wang2Yuan Chen3Zun-qi Liu4College of Chemical Engineering, Xinjiang Agricultural University, Urumqi 830052, ChinaCollege of Chemical Engineering, Xinjiang Agricultural University, Urumqi 830052, ChinaCollege of Chemical Engineering, Xinjiang Agricultural University, Urumqi 830052, ChinaCollege of Chemical Engineering, Xinjiang Agricultural University, Urumqi 830052, ChinaCollege of Chemical Engineering, Xinjiang Agricultural University, Urumqi 830052, ChinaA novel inorganic-organic hybrid supramolecular macrocyclic compound, (4-nitroanilinium)(18-crown-6)(PF6)(1), was synthesized and characterized by infrared spectroscopy, thermogravimetric analysis, elemental analysis, differential scanning calorimetry (DSC), and single-crystal X-ray diffraction. Crystal 1 is found to comprise 1D C–H···F–P hydrogen-bonded chains of (4-nitroanilinium+)(18-crown-6) supramolecular cations and PF6− anions. DSC measurements confirm that 1 undergoes a reversible phase transition at 255 K with a hysteresis width of 6 K. A strong dielectric response is observed above 250 K at a low frequency (500 Hz), suggesting the occurrence of proton transfer in the C–H···F–P hydrogen bonds. A precise analysis on the main packing and structural differences, as well as the changes in the intermolecular interaction between the low- and high-temperature phases, reveals that C–H···F–P hydrogen bonds are the main factors affecting phase transition and dielectric behavior.https://www.mdpi.com/2073-4352/7/9/276crystal structurephase transitiondielectric responsecrown etherC–H···F–P hydrogen bonds |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Chun-li Zhu Yang Liu Kun Wang Yuan Chen Zun-qi Liu |
| spellingShingle |
Chun-li Zhu Yang Liu Kun Wang Yuan Chen Zun-qi Liu Crystal Structure and Phase Transition of the C–H···F–H-Bonded Supramolecular Compound with 4-Nitroanilinium Based on 18-Crown-6 Crystals crystal structure phase transition dielectric response crown ether C–H···F–P hydrogen bonds |
| author_facet |
Chun-li Zhu Yang Liu Kun Wang Yuan Chen Zun-qi Liu |
| author_sort |
Chun-li Zhu |
| title |
Crystal Structure and Phase Transition of the C–H···F–H-Bonded Supramolecular Compound with 4-Nitroanilinium Based on 18-Crown-6 |
| title_short |
Crystal Structure and Phase Transition of the C–H···F–H-Bonded Supramolecular Compound with 4-Nitroanilinium Based on 18-Crown-6 |
| title_full |
Crystal Structure and Phase Transition of the C–H···F–H-Bonded Supramolecular Compound with 4-Nitroanilinium Based on 18-Crown-6 |
| title_fullStr |
Crystal Structure and Phase Transition of the C–H···F–H-Bonded Supramolecular Compound with 4-Nitroanilinium Based on 18-Crown-6 |
| title_full_unstemmed |
Crystal Structure and Phase Transition of the C–H···F–H-Bonded Supramolecular Compound with 4-Nitroanilinium Based on 18-Crown-6 |
| title_sort |
crystal structure and phase transition of the c–h···f–h-bonded supramolecular compound with 4-nitroanilinium based on 18-crown-6 |
| publisher |
MDPI AG |
| series |
Crystals |
| issn |
2073-4352 |
| publishDate |
2017-09-01 |
| description |
A novel inorganic-organic hybrid supramolecular macrocyclic compound, (4-nitroanilinium)(18-crown-6)(PF6)(1), was synthesized and characterized by infrared spectroscopy, thermogravimetric analysis, elemental analysis, differential scanning calorimetry (DSC), and single-crystal X-ray diffraction. Crystal 1 is found to comprise 1D C–H···F–P hydrogen-bonded chains of (4-nitroanilinium+)(18-crown-6) supramolecular cations and PF6− anions. DSC measurements confirm that 1 undergoes a reversible phase transition at 255 K with a hysteresis width of 6 K. A strong dielectric response is observed above 250 K at a low frequency (500 Hz), suggesting the occurrence of proton transfer in the C–H···F–P hydrogen bonds. A precise analysis on the main packing and structural differences, as well as the changes in the intermolecular interaction between the low- and high-temperature phases, reveals that C–H···F–P hydrogen bonds are the main factors affecting phase transition and dielectric behavior. |
| topic |
crystal structure phase transition dielectric response crown ether C–H···F–P hydrogen bonds |
| url |
https://www.mdpi.com/2073-4352/7/9/276 |
| work_keys_str_mv |
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