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| Content Provider | World Health Organization (WHO)-Global Index Medicus |
|---|---|
| Author | Li, DongFei Song, MingXing Li, HaiBo Sun, ChengLin Zhai, NaiCui Zhang, KeWei |
| Description | Author Affiliation: Li D ( Key Laboratory of Functional Materials Physics and Chemistry of the Ministry of Education, Jilin Normal University, Changchun 130103, Jilin Province, PR China); Zhang K ( Key Laboratory of Functional Materials Physics and Chemistry of the Ministry of Education, Jilin Normal University, Changchun 130103, Jilin Province, PR China.); Song M ( College of Information and Technology, Jilin Normal University, Siping 136000, Jilin Province, PR China.); Zhai N ( Institute of Translational Medicine, the First Hospital, Jilin University, Changchun 130061, Jilin Province, PR China.); Sun C ( State Key Laboratory of Superhard Materials, Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, Jilin Province, PR China. Electronic address: chenglin@jlu.edu.cn.); Li H ( Key Laboratory of Functional Materials Physics and Chemistry of the Ministry of Education, Jilin Normal University, Changchun 130103, Jilin Province, PR China. Electronic address: goodldf@gmail.com.) |
| Abstract | The in situ high-pressure Raman spectra of Terephthalonitrile (TPN) have been investigated from ambient to 12.6GPa at room temperature. All the fundamental vibrational modes of TPN at ambient were assigned based on the first-principle calculations. A detailed Raman spectroscopy analysis revealed that TPN underwent a phase transition at ~5.3GPa. The frequencies of the TPN Raman peaks increase with increasing the pressure which can be attributed to the reduction in the interatomic distances and the escalation of effective force constants. The intensity of the C-C-C ring-out-plane deformation mode increases gradually as the frequency remains almost constant during the compression which can be explained by the existence of π-π interactions in TPN molecules. Additionally, the pressure-induced structural changes of TPN on the Fermi resonance between the C≡N out-of-plane vibration mode and the C-CN out-of-plane vibration mode have been analyzed. |
| ISSN | 13861425 |
| Journal | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy |
| Volume Number | 173 |
| e-ISSN | 18733557 |
| Language | English |
| Publisher | Elsevier |
| Publisher Date | 2017-02-15 |
| Publisher Place | Great Britain (UK) |
| Access Restriction | One Nation One Subscription (ONOS) |
| Subject Keyword | Discipline Spectroscopy |
| Content Type | Text |
| Resource Type | Article |
| Subject | Spectroscopy Atomic and Molecular Physics, and Optics Analytical Chemistry Instrumentation |
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