Investigation of Davydov splitting in the ir spectra of crystalline dicarboxylic acids
In the present paper the collective (vibrational) excitations in molecular crystals were studied. Since the corresponding molecular interactions are characterized by a small radius, the investigation results are important for the molecular and nanoelectronics problem solving.The paper includes the i...
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Sumy State University
2009-01-01
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| Series: | Журнал нано- та електронної фізики |
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| Online Access: | http://jnep.sumdu.edu.ua/download/numbers/2009/3/articles/en/jnep_eng_2009_V1_N3_37-42.pdf |
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| author | T.A. Havrilko Yu.M. Lopatkin S.I. Kshnyakina |
| author_facet | T.A. Havrilko Yu.M. Lopatkin S.I. Kshnyakina |
| author_sort | T.A. Havrilko |
| collection | DOAJ |
| description | In the present paper the collective (vibrational) excitations in molecular crystals were studied. Since the corresponding molecular interactions are characterized by a small radius, the investigation results are important for the molecular and nanoelectronics problem solving.The paper includes the investigation results of resonance (Davydov) splitting of the methylene СН2 group rocking vibrations in the IR absorption spectra of even homologues of crystalline dicarboxylic НООС(СН2)nСООН acids (crystal space group P21/a). Temperature dependence of the Davydov splitting value for the series of rocking vibration bands of methylene groups in the spectral range 700-1100 cm–1 was investigated for homologues with the number of carbon atoms n = 4-10 using the polarized IR spectroscopy in the wide temperature range 100-300 K. Interpretation of the series of rocking vibration bands of methylene groups in the IR absorption spectra of even homologues of crystalline dicarboxylic acids is performed. Based on the theoretical calculation of normal modes and the assignment of observed absorption bands to vibrations of different symmetry types it was shown, that in the spectra of the studied acids the series of rocking vibration bands may be interpreted as the vibration of (n – 2) methylene groups connected by the collective interaction, in contrast to the case of normal paraffins where all the methylene groups are involved in rocking vibrations. Dependence of the Davydov splitting value on the number of methylene groups is analyzed, and shown that this value increases proportionally to the methylene chain length. |
| format | Article |
| id | doaj-art-59dfd475cdca49e4a94779c0de1f952f |
| institution | Kabale University |
| issn | 2077-6772 |
| language | English |
| publishDate | 2009-01-01 |
| publisher | Sumy State University |
| record_format | Article |
| series | Журнал нано- та електронної фізики |
| spelling | doaj-art-59dfd475cdca49e4a94779c0de1f952f2025-08-20T03:34:26ZengSumy State UniversityЖурнал нано- та електронної фізики2077-67722009-01-01133742Investigation of Davydov splitting in the ir spectra of crystalline dicarboxylic acidsT.A. HavrilkoYu.M. LopatkinS.I. KshnyakinaIn the present paper the collective (vibrational) excitations in molecular crystals were studied. Since the corresponding molecular interactions are characterized by a small radius, the investigation results are important for the molecular and nanoelectronics problem solving.The paper includes the investigation results of resonance (Davydov) splitting of the methylene СН2 group rocking vibrations in the IR absorption spectra of even homologues of crystalline dicarboxylic НООС(СН2)nСООН acids (crystal space group P21/a). Temperature dependence of the Davydov splitting value for the series of rocking vibration bands of methylene groups in the spectral range 700-1100 cm–1 was investigated for homologues with the number of carbon atoms n = 4-10 using the polarized IR spectroscopy in the wide temperature range 100-300 K. Interpretation of the series of rocking vibration bands of methylene groups in the IR absorption spectra of even homologues of crystalline dicarboxylic acids is performed. Based on the theoretical calculation of normal modes and the assignment of observed absorption bands to vibrations of different symmetry types it was shown, that in the spectra of the studied acids the series of rocking vibration bands may be interpreted as the vibration of (n – 2) methylene groups connected by the collective interaction, in contrast to the case of normal paraffins where all the methylene groups are involved in rocking vibrations. Dependence of the Davydov splitting value on the number of methylene groups is analyzed, and shown that this value increases proportionally to the methylene chain length.http://jnep.sumdu.edu.ua/download/numbers/2009/3/articles/en/jnep_eng_2009_V1_N3_37-42.pdfDavydov SplittingDicarboxylic AcidsIr SpectraNormal ModesAbsorption |
| spellingShingle | T.A. Havrilko Yu.M. Lopatkin S.I. Kshnyakina Investigation of Davydov splitting in the ir spectra of crystalline dicarboxylic acids Журнал нано- та електронної фізики Davydov Splitting Dicarboxylic Acids Ir Spectra Normal Modes Absorption |
| title | Investigation of Davydov splitting in the ir spectra of crystalline dicarboxylic acids |
| title_full | Investigation of Davydov splitting in the ir spectra of crystalline dicarboxylic acids |
| title_fullStr | Investigation of Davydov splitting in the ir spectra of crystalline dicarboxylic acids |
| title_full_unstemmed | Investigation of Davydov splitting in the ir spectra of crystalline dicarboxylic acids |
| title_short | Investigation of Davydov splitting in the ir spectra of crystalline dicarboxylic acids |
| title_sort | investigation of davydov splitting in the ir spectra of crystalline dicarboxylic acids |
| topic | Davydov Splitting Dicarboxylic Acids Ir Spectra Normal Modes Absorption |
| url | http://jnep.sumdu.edu.ua/download/numbers/2009/3/articles/en/jnep_eng_2009_V1_N3_37-42.pdf |
| work_keys_str_mv | AT tahavrilko investigationofdavydovsplittingintheirspectraofcrystallinedicarboxylicacids AT yumlopatkin investigationofdavydovsplittingintheirspectraofcrystallinedicarboxylicacids AT sikshnyakina investigationofdavydovsplittingintheirspectraofcrystallinedicarboxylicacids |