Physicochemical properties and structural dynamics of organic–inorganic hybrid [NH3(CH2)3NH3]ZnX 4 (X = Cl and Br) crystals
Abstract The physical properties of the organic–inorganic hybrid crystals having the formula [NH3(CH2)3NH3]ZnX4 (X = Cl, Br) were investigated. The phase transition temperatures (TC; 268K for Cl and 272K for Br) of the two crystals bearing different halogen atoms in their skeletons were determined t...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2021-04-01
|
| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-021-87940-2 |
| _version_ | 1818401721408290816 |
|---|---|
| author | Ae Ran Lim Sun Ha Kim Yong Lak Joo |
| author_facet | Ae Ran Lim Sun Ha Kim Yong Lak Joo |
| author_sort | Ae Ran Lim |
| collection | DOAJ |
| description | Abstract The physical properties of the organic–inorganic hybrid crystals having the formula [NH3(CH2)3NH3]ZnX4 (X = Cl, Br) were investigated. The phase transition temperatures (TC; 268K for Cl and 272K for Br) of the two crystals bearing different halogen atoms in their skeletons were determined through differential scanning calorimetry. The thermodynamic properties of the two crystals were investigated through thermogravimetric analysis. The structural dynamics, particularly the role of the [NH3(CH2)3NH3] cation, were probed through 1H and 13C magic-angle spinning nuclear magnetic resonance spectroscopy as a function of temperature. The 1H and 13C NMR chemical shifts did not show any changes near TC. In addition, the 1H spin–lattice relaxation time (T1ρ) varied with temperature, whereas the 13C T1ρ values remained nearly constant at different temperatures. The T1ρ values of the atoms in [NH3(CH2)3NH3]ZnCl4 were higher than those in [NH3(CH2)3NH3]ZnBr4. The observed differences in the structural dynamics obtained from the chemical shifts and T1ρ values of the two compounds can be attributed to the differences in the bond lengths and halogen atoms. These findings can provide important insights or potential applications of these crystals. |
| first_indexed | 2024-12-14T07:56:58Z |
| format | Article |
| id | doaj.art-1298de32208941088e0ed794920f8c96 |
| institution | Directory Open Access Journal |
| issn | 2045-2322 |
| language | English |
| last_indexed | 2024-12-14T07:56:58Z |
| publishDate | 2021-04-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj.art-1298de32208941088e0ed794920f8c962022-12-21T23:10:32ZengNature PortfolioScientific Reports2045-23222021-04-011111910.1038/s41598-021-87940-2Physicochemical properties and structural dynamics of organic–inorganic hybrid [NH3(CH2)3NH3]ZnX 4 (X = Cl and Br) crystalsAe Ran Lim0Sun Ha Kim1Yong Lak Joo2Department of Carbon Convergence Engineering, Jeonju UniversityKorea Basic Science Institute, Seoul Western CenterRobert Fredrick Smith School of Chemical and Biomolecular Engineering, Cornell UniversityAbstract The physical properties of the organic–inorganic hybrid crystals having the formula [NH3(CH2)3NH3]ZnX4 (X = Cl, Br) were investigated. The phase transition temperatures (TC; 268K for Cl and 272K for Br) of the two crystals bearing different halogen atoms in their skeletons were determined through differential scanning calorimetry. The thermodynamic properties of the two crystals were investigated through thermogravimetric analysis. The structural dynamics, particularly the role of the [NH3(CH2)3NH3] cation, were probed through 1H and 13C magic-angle spinning nuclear magnetic resonance spectroscopy as a function of temperature. The 1H and 13C NMR chemical shifts did not show any changes near TC. In addition, the 1H spin–lattice relaxation time (T1ρ) varied with temperature, whereas the 13C T1ρ values remained nearly constant at different temperatures. The T1ρ values of the atoms in [NH3(CH2)3NH3]ZnCl4 were higher than those in [NH3(CH2)3NH3]ZnBr4. The observed differences in the structural dynamics obtained from the chemical shifts and T1ρ values of the two compounds can be attributed to the differences in the bond lengths and halogen atoms. These findings can provide important insights or potential applications of these crystals.https://doi.org/10.1038/s41598-021-87940-2 |
| spellingShingle | Ae Ran Lim Sun Ha Kim Yong Lak Joo Physicochemical properties and structural dynamics of organic–inorganic hybrid [NH3(CH2)3NH3]ZnX 4 (X = Cl and Br) crystals Scientific Reports |
| title | Physicochemical properties and structural dynamics of organic–inorganic hybrid [NH3(CH2)3NH3]ZnX 4 (X = Cl and Br) crystals |
| title_full | Physicochemical properties and structural dynamics of organic–inorganic hybrid [NH3(CH2)3NH3]ZnX 4 (X = Cl and Br) crystals |
| title_fullStr | Physicochemical properties and structural dynamics of organic–inorganic hybrid [NH3(CH2)3NH3]ZnX 4 (X = Cl and Br) crystals |
| title_full_unstemmed | Physicochemical properties and structural dynamics of organic–inorganic hybrid [NH3(CH2)3NH3]ZnX 4 (X = Cl and Br) crystals |
| title_short | Physicochemical properties and structural dynamics of organic–inorganic hybrid [NH3(CH2)3NH3]ZnX 4 (X = Cl and Br) crystals |
| title_sort | physicochemical properties and structural dynamics of organic inorganic hybrid nh3 ch2 3nh3 znx 4 x cl and br crystals |
| url | https://doi.org/10.1038/s41598-021-87940-2 |
| work_keys_str_mv | AT aeranlim physicochemicalpropertiesandstructuraldynamicsoforganicinorganichybridnh3ch23nh3znx4xclandbrcrystals AT sunhakim physicochemicalpropertiesandstructuraldynamicsoforganicinorganichybridnh3ch23nh3znx4xclandbrcrystals AT yonglakjoo physicochemicalpropertiesandstructuraldynamicsoforganicinorganichybridnh3ch23nh3znx4xclandbrcrystals |