Inorganic Salts of <i>N</i>-phenylbiguanidium(1+)—Novel Family with Promising Representatives for Nonlinear Optics
Seven inorganic salts containing <i>N</i>-phenylbiguanide as a prospective organic molecular carrier of nonlinear optical properties were prepared and studied within our research of novel hydrogen-bonded materials for nonlinear optics (NLO). All seven salts, namely <i>N</i>-p...
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MDPI AG
2021-08-01
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| Series: | International Journal of Molecular Sciences |
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| Online Access: | https://www.mdpi.com/1422-0067/22/16/8419 |
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| author | Irena Matulková Ivana Císařová Michaela Fridrichová Róbert Gyepes Petr Němec Jan Kroupa Ivan Němec |
| author_facet | Irena Matulková Ivana Císařová Michaela Fridrichová Róbert Gyepes Petr Němec Jan Kroupa Ivan Němec |
| author_sort | Irena Matulková |
| collection | DOAJ |
| description | Seven inorganic salts containing <i>N</i>-phenylbiguanide as a prospective organic molecular carrier of nonlinear optical properties were prepared and studied within our research of novel hydrogen-bonded materials for nonlinear optics (NLO). All seven salts, namely <i>N</i>-phenylbiguanidium(1+) nitrate (<i>C</i>2/<i>c</i>), <i>N</i>-phenylbiguanidium(1+) perchlorate (<i>P</i>-1), <i>N</i>-phenylbiguanidium(1+) hydrogen carbonate (<i>P</i>2<sub>1</sub>/<i>c</i>), bis(<i>N</i>-phenylbiguanidium(1+)) sulfate (<i>C</i>2), bis(<i>N</i>-phenylbiguanidium(1+)) hydrogen phosphate sesquihydrate (<i>P</i>-1), bis(<i>N</i>-phenylbiguanidium(1+)) phosphite (<i>P</i>2<sub>1</sub>), and bis(<i>N</i>-phenylbiguanidium(1+)) phosphite dihydrate (<i>P</i>2<sub>1</sub>/<i>n</i>), were characterised by X-ray diffraction (powder and single-crystal X-ray diffraction) and by vibrational spectroscopy (FTIR and Raman). Two salts with non-centrosymmetric crystal structures—bis(<i>N</i>-phenylbiguanidium(1+)) sulfate and bis(<i>N</i>-phenylbiguanidium(1+)) phosphite—were further studied to examine their linear and nonlinear optical properties using experimental and computational methods. As a highly SHG-efficient and phase-matchable material transparent down to 320 nm and thermally stable to 483 K, bis(<i>N</i>-phenylbiguanidium(1+)) sulfate is a promising novel candidate for NLO. |
| first_indexed | 2024-03-10T08:45:54Z |
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| institution | Directory Open Access Journal |
| issn | 1661-6596 1422-0067 |
| language | English |
| last_indexed | 2024-03-10T08:45:54Z |
| publishDate | 2021-08-01 |
| publisher | MDPI AG |
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| series | International Journal of Molecular Sciences |
| spelling | doaj.art-71057c8c559d4d30b15badb6f768a7a42023-11-22T07:54:46ZengMDPI AGInternational Journal of Molecular Sciences1661-65961422-00672021-08-012216841910.3390/ijms22168419Inorganic Salts of <i>N</i>-phenylbiguanidium(1+)—Novel Family with Promising Representatives for Nonlinear OpticsIrena Matulková0Ivana Císařová1Michaela Fridrichová2Róbert Gyepes3Petr Němec4Jan Kroupa5Ivan Němec6Department of Inorganic Chemistry, Faculty of Science, Charles University, Hlavova 8, 128 43 Prague, Czech RepublicDepartment of Inorganic Chemistry, Faculty of Science, Charles University, Hlavova 8, 128 43 Prague, Czech RepublicDepartment of Inorganic Chemistry, Faculty of Science, Charles University, Hlavova 8, 128 43 Prague, Czech RepublicDepartment of Molecular Electrochemistry and Catalysis, J. Heyrovský Institute of Physical Chemistry, Czech Academy of Sciences, Dolejškova 3, 182 23 Prague, Czech RepublicDepartment of Chemical Physics and Optics, Faculty of Mathematics and Physics, Charles University, Ke Karlovu 3, 121 16 Prague, Czech RepublicDepartment of Dielectrics, Institute of Physics, Czech Academy of Sciences, Na Slovance 2, 182 21 Prague, Czech RepublicDepartment of Inorganic Chemistry, Faculty of Science, Charles University, Hlavova 8, 128 43 Prague, Czech RepublicSeven inorganic salts containing <i>N</i>-phenylbiguanide as a prospective organic molecular carrier of nonlinear optical properties were prepared and studied within our research of novel hydrogen-bonded materials for nonlinear optics (NLO). All seven salts, namely <i>N</i>-phenylbiguanidium(1+) nitrate (<i>C</i>2/<i>c</i>), <i>N</i>-phenylbiguanidium(1+) perchlorate (<i>P</i>-1), <i>N</i>-phenylbiguanidium(1+) hydrogen carbonate (<i>P</i>2<sub>1</sub>/<i>c</i>), bis(<i>N</i>-phenylbiguanidium(1+)) sulfate (<i>C</i>2), bis(<i>N</i>-phenylbiguanidium(1+)) hydrogen phosphate sesquihydrate (<i>P</i>-1), bis(<i>N</i>-phenylbiguanidium(1+)) phosphite (<i>P</i>2<sub>1</sub>), and bis(<i>N</i>-phenylbiguanidium(1+)) phosphite dihydrate (<i>P</i>2<sub>1</sub>/<i>n</i>), were characterised by X-ray diffraction (powder and single-crystal X-ray diffraction) and by vibrational spectroscopy (FTIR and Raman). Two salts with non-centrosymmetric crystal structures—bis(<i>N</i>-phenylbiguanidium(1+)) sulfate and bis(<i>N</i>-phenylbiguanidium(1+)) phosphite—were further studied to examine their linear and nonlinear optical properties using experimental and computational methods. As a highly SHG-efficient and phase-matchable material transparent down to 320 nm and thermally stable to 483 K, bis(<i>N</i>-phenylbiguanidium(1+)) sulfate is a promising novel candidate for NLO.https://www.mdpi.com/1422-0067/22/16/8419<i>N</i>-phenylbiguanidium(1+) cationcrystal structurevibrational spectrasecond harmonic generationsolid-state DFT |
| spellingShingle | Irena Matulková Ivana Císařová Michaela Fridrichová Róbert Gyepes Petr Němec Jan Kroupa Ivan Němec Inorganic Salts of <i>N</i>-phenylbiguanidium(1+)—Novel Family with Promising Representatives for Nonlinear Optics International Journal of Molecular Sciences <i>N</i>-phenylbiguanidium(1+) cation crystal structure vibrational spectra second harmonic generation solid-state DFT |
| title | Inorganic Salts of <i>N</i>-phenylbiguanidium(1+)—Novel Family with Promising Representatives for Nonlinear Optics |
| title_full | Inorganic Salts of <i>N</i>-phenylbiguanidium(1+)—Novel Family with Promising Representatives for Nonlinear Optics |
| title_fullStr | Inorganic Salts of <i>N</i>-phenylbiguanidium(1+)—Novel Family with Promising Representatives for Nonlinear Optics |
| title_full_unstemmed | Inorganic Salts of <i>N</i>-phenylbiguanidium(1+)—Novel Family with Promising Representatives for Nonlinear Optics |
| title_short | Inorganic Salts of <i>N</i>-phenylbiguanidium(1+)—Novel Family with Promising Representatives for Nonlinear Optics |
| title_sort | inorganic salts of i n i phenylbiguanidium 1 novel family with promising representatives for nonlinear optics |
| topic | <i>N</i>-phenylbiguanidium(1+) cation crystal structure vibrational spectra second harmonic generation solid-state DFT |
| url | https://www.mdpi.com/1422-0067/22/16/8419 |
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