التفاصيل البيبلوغرافية
| العنوان: |
Crystal structure, magnetic properties, and structural prediction for an oxidovanadium(IV) complex [VO(dmf) 5 ][PF 6 ] 2 |
| المؤلفون: |
Shohei Yamamoto (422221), Ryoji Mitsuhashi (1918183), Masahiro Mikuriya (2022271), Masayuki Koikawa (556252), Hiroshi Sakiyama (2106628) |
| سنة النشر: |
2021 |
| المجموعة: |
Smithsonian Institution: Digital Repository |
| مصطلحات موضوعية: |
Biophysics, Biochemistry, Medicine, Infectious Diseases, Plant Biology, Computational Biology, Chemical Sciences not elsewhere classified, Oxidovanadium(IV) complex, dimethylformamide ligand, magnetic properties, conformational prediction, density functional theory (DFT) |
| الوصف: |
Pentakis(dimethylformamide- κO )oxidovanadium(IV) bis(hexafluoridophosphate), [VO(dmf) 5 ][PF 6 ] 2 (dmf: dimethylformamide), was synthesized, and its crystal structure was revealed by a single-crystal X-ray method. The [VO(dmf) 5 ] 2+ complex cation dimerized in the crystal, and a weak ferromagnetic interaction was attributed to the dimerized structure. In addition, conformational prediction was successfully conducted using the enumeration result on the basis of group theory. As a result, a reasonable monomer structure of the defect- S 6 symmetry was obtained as the most stable structure in dilute solution; in addition, a dimer structure was predicted as the structure in a crystal. |
| نوع الوثيقة: |
article in journal/newspaper |
| اللغة: |
unknown |
| العلاقة: |
https://figshare.com/articles/journal_contribution/Crystal_structure_magnetic_properties_and_structural_prediction_for_an_oxidovanadium_IV_complex_VO_dmf_sub_5_sub_PF_sub_6_sub_sub_2_sub_/14161853Test |
| DOI: |
10.6084/m9.figshare.14161853.v1 |
| الإتاحة: |
https://doi.org/10.6084/m9.figshare.14161853.v1Test |
| حقوق: |
CC BY 4.0 |
| رقم الانضمام: |
edsbas.4E921372 |
| قاعدة البيانات: |
BASE |
