Experimental and theoretical interpretations of structural, optical, mechanical and thermal properties of 2-aminopyridinium phthalate single crystals
Nonlinear optical good quality single crystals of 2-aminopyridinium phthalate single crystals are synthesized by solution growth technique. Structural parameters are elucidated by Single Crystal X-ray diffraction method which reveals that the material crystallizes in non-centrosymmetric crystalline...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2024-06-01
|
| Series: | Chemical Physics Impact |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2667022424000926 |
| _version_ | 1797272409567395840 |
|---|---|
| author | S.R. Bindulekha S. Jeslin Sunitha Bai S. Sindhusha |
| author_facet | S.R. Bindulekha S. Jeslin Sunitha Bai S. Sindhusha |
| author_sort | S.R. Bindulekha |
| collection | DOAJ |
| description | Nonlinear optical good quality single crystals of 2-aminopyridinium phthalate single crystals are synthesized by solution growth technique. Structural parameters are elucidated by Single Crystal X-ray diffraction method which reveals that the material crystallizes in non-centrosymmetric crystalline framework. Vibrational assignments are interpreted by Fourier Transform Infrared spectral analysis. The thermal, mechanical and laser stability are explored by TG/DTA, microhardness and Laser Damage threshold analysis. The material has good emission nature in the violet emission region. The linear optical properties are elucidated with the help of UV–visible spectral analysis. The intermolecular charge transfer interactions are analyzed by HOMO-LUMO and MESP maps by using Gaussian ’09 software program. The second harmonic generation efficiency of the synthesized material are predicted by Kurtz Perry powder technique. |
| first_indexed | 2024-03-07T14:27:55Z |
| format | Article |
| id | doaj.art-4a6899e903f744eab06cf6ba0a916444 |
| institution | Directory Open Access Journal |
| issn | 2667-0224 |
| language | English |
| last_indexed | 2024-03-07T14:27:55Z |
| publishDate | 2024-06-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Chemical Physics Impact |
| spelling | doaj.art-4a6899e903f744eab06cf6ba0a9164442024-03-06T05:28:58ZengElsevierChemical Physics Impact2667-02242024-06-018100548Experimental and theoretical interpretations of structural, optical, mechanical and thermal properties of 2-aminopyridinium phthalate single crystalsS.R. Bindulekha0S. Jeslin Sunitha Bai1S. Sindhusha2Manonmaniam Sundaranar University, Abisekapatti, Tirunelveli 627012, Tamilnadu, IndiaDepartment of Physics & Research Centre, Nesamony Memorial Christian College, Marthandam 629165, Tamilnadu, India; Corresponding author.Department of Physics & Research Centre, Nesamony Memorial Christian College, Marthandam 629165, Tamilnadu, IndiaNonlinear optical good quality single crystals of 2-aminopyridinium phthalate single crystals are synthesized by solution growth technique. Structural parameters are elucidated by Single Crystal X-ray diffraction method which reveals that the material crystallizes in non-centrosymmetric crystalline framework. Vibrational assignments are interpreted by Fourier Transform Infrared spectral analysis. The thermal, mechanical and laser stability are explored by TG/DTA, microhardness and Laser Damage threshold analysis. The material has good emission nature in the violet emission region. The linear optical properties are elucidated with the help of UV–visible spectral analysis. The intermolecular charge transfer interactions are analyzed by HOMO-LUMO and MESP maps by using Gaussian ’09 software program. The second harmonic generation efficiency of the synthesized material are predicted by Kurtz Perry powder technique.http://www.sciencedirect.com/science/article/pii/S2667022424000926Non-centrosymmetricSXRDFTIRMechanical stabilitySecond harmonic generation |
| spellingShingle | S.R. Bindulekha S. Jeslin Sunitha Bai S. Sindhusha Experimental and theoretical interpretations of structural, optical, mechanical and thermal properties of 2-aminopyridinium phthalate single crystals Chemical Physics Impact Non-centrosymmetric SXRD FTIR Mechanical stability Second harmonic generation |
| title | Experimental and theoretical interpretations of structural, optical, mechanical and thermal properties of 2-aminopyridinium phthalate single crystals |
| title_full | Experimental and theoretical interpretations of structural, optical, mechanical and thermal properties of 2-aminopyridinium phthalate single crystals |
| title_fullStr | Experimental and theoretical interpretations of structural, optical, mechanical and thermal properties of 2-aminopyridinium phthalate single crystals |
| title_full_unstemmed | Experimental and theoretical interpretations of structural, optical, mechanical and thermal properties of 2-aminopyridinium phthalate single crystals |
| title_short | Experimental and theoretical interpretations of structural, optical, mechanical and thermal properties of 2-aminopyridinium phthalate single crystals |
| title_sort | experimental and theoretical interpretations of structural optical mechanical and thermal properties of 2 aminopyridinium phthalate single crystals |
| topic | Non-centrosymmetric SXRD FTIR Mechanical stability Second harmonic generation |
| url | http://www.sciencedirect.com/science/article/pii/S2667022424000926 |
| work_keys_str_mv | AT srbindulekha experimentalandtheoreticalinterpretationsofstructuralopticalmechanicalandthermalpropertiesof2aminopyridiniumphthalatesinglecrystals AT sjeslinsunithabai experimentalandtheoreticalinterpretationsofstructuralopticalmechanicalandthermalpropertiesof2aminopyridiniumphthalatesinglecrystals AT ssindhusha experimentalandtheoreticalinterpretationsofstructuralopticalmechanicalandthermalpropertiesof2aminopyridiniumphthalatesinglecrystals |