Vibrational and spectroscopic investigation on the structure of 5H-dibenzo[b,f]azipine-5-carboxamide
The Fourier transform infrared and Fourier transform Raman spectra of 5H-dibenzo[b,f]azepine-5-carboxamide are recorded in solid phase, the harmonic vibrational frequencies, infrared intensities, Raman activities, bond length, bond angle are calculated by HF and DFT methods by using 6-31G(d,p)basis...
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Gespeichert in:
| Autor*in: |
Muthu, S. [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2013transfer abstract |
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| Schlagwörter: |
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10 |
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| Übergeordnetes Werk: |
Enthalten in: Developing an audio analyzer for instantaneous stroke position identification on table tennis racket to assist technical training - An, Chen-Chi ELSEVIER, 2017, Amsterdam [u.a.] |
|---|---|
| Übergeordnetes Werk: |
volume:114 ; year:2013 ; pages:1-10 ; extent:10 |
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| DOI / URN: |
10.1016/j.saa.2013.05.004 |
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| 520 | |a The Fourier transform infrared and Fourier transform Raman spectra of 5H-dibenzo[b,f]azepine-5-carboxamide are recorded in solid phase, the harmonic vibrational frequencies, infrared intensities, Raman activities, bond length, bond angle are calculated by HF and DFT methods by using 6-31G(d,p)basis set. A detailed vibrational spectral analysis has been carried out and assignments of observed fundamental bands have been proposed on basis of peak positions and relative intensities. The scaled theoretical frequencies showed very good agreement with experimental values. HOMO and LUMO energies are calculated that these energies show charge transfer occurs within the molecule. | ||
| 520 | |a The Fourier transform infrared and Fourier transform Raman spectra of 5H-dibenzo[b,f]azepine-5-carboxamide are recorded in solid phase, the harmonic vibrational frequencies, infrared intensities, Raman activities, bond length, bond angle are calculated by HF and DFT methods by using 6-31G(d,p)basis set. A detailed vibrational spectral analysis has been carried out and assignments of observed fundamental bands have been proposed on basis of peak positions and relative intensities. The scaled theoretical frequencies showed very good agreement with experimental values. HOMO and LUMO energies are calculated that these energies show charge transfer occurs within the molecule. | ||
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10.1016/j.saa.2013.05.004 doi GBVA2013003000001.pica (DE-627)ELV011349859 (ELSEVIER)S1386-1425(13)00485-X DE-627 ger DE-627 rakwb eng 540 530 540 DE-600 530 DE-600 660 VZ 50.21 bkl Muthu, S. verfasserin aut Vibrational and spectroscopic investigation on the structure of 5H-dibenzo[b,f]azipine-5-carboxamide 2013transfer abstract 10 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The Fourier transform infrared and Fourier transform Raman spectra of 5H-dibenzo[b,f]azepine-5-carboxamide are recorded in solid phase, the harmonic vibrational frequencies, infrared intensities, Raman activities, bond length, bond angle are calculated by HF and DFT methods by using 6-31G(d,p)basis set. A detailed vibrational spectral analysis has been carried out and assignments of observed fundamental bands have been proposed on basis of peak positions and relative intensities. The scaled theoretical frequencies showed very good agreement with experimental values. HOMO and LUMO energies are calculated that these energies show charge transfer occurs within the molecule. The Fourier transform infrared and Fourier transform Raman spectra of 5H-dibenzo[b,f]azepine-5-carboxamide are recorded in solid phase, the harmonic vibrational frequencies, infrared intensities, Raman activities, bond length, bond angle are calculated by HF and DFT methods by using 6-31G(d,p)basis set. A detailed vibrational spectral analysis has been carried out and assignments of observed fundamental bands have been proposed on basis of peak positions and relative intensities. The scaled theoretical frequencies showed very good agreement with experimental values. HOMO and LUMO energies are calculated that these energies show charge transfer occurs within the molecule. DFT Elsevier FT-Raman Elsevier FTIR Elsevier NBO Elsevier PED Elsevier Renuga, S. oth Enthalten in Elsevier Science An, Chen-Chi ELSEVIER Developing an audio analyzer for instantaneous stroke position identification on table tennis racket to assist technical training 2017 Amsterdam [u.a.] (DE-627)ELV000384860 volume:114 year:2013 pages:1-10 extent:10 https://doi.org/10.1016/j.saa.2013.05.004 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA 50.21 Messtechnik VZ AR 114 2013 1-10 10 045F 540 |
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10.1016/j.saa.2013.05.004 doi GBVA2013003000001.pica (DE-627)ELV011349859 (ELSEVIER)S1386-1425(13)00485-X DE-627 ger DE-627 rakwb eng 540 530 540 DE-600 530 DE-600 660 VZ 50.21 bkl Muthu, S. verfasserin aut Vibrational and spectroscopic investigation on the structure of 5H-dibenzo[b,f]azipine-5-carboxamide 2013transfer abstract 10 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The Fourier transform infrared and Fourier transform Raman spectra of 5H-dibenzo[b,f]azepine-5-carboxamide are recorded in solid phase, the harmonic vibrational frequencies, infrared intensities, Raman activities, bond length, bond angle are calculated by HF and DFT methods by using 6-31G(d,p)basis set. A detailed vibrational spectral analysis has been carried out and assignments of observed fundamental bands have been proposed on basis of peak positions and relative intensities. The scaled theoretical frequencies showed very good agreement with experimental values. HOMO and LUMO energies are calculated that these energies show charge transfer occurs within the molecule. The Fourier transform infrared and Fourier transform Raman spectra of 5H-dibenzo[b,f]azepine-5-carboxamide are recorded in solid phase, the harmonic vibrational frequencies, infrared intensities, Raman activities, bond length, bond angle are calculated by HF and DFT methods by using 6-31G(d,p)basis set. A detailed vibrational spectral analysis has been carried out and assignments of observed fundamental bands have been proposed on basis of peak positions and relative intensities. The scaled theoretical frequencies showed very good agreement with experimental values. HOMO and LUMO energies are calculated that these energies show charge transfer occurs within the molecule. DFT Elsevier FT-Raman Elsevier FTIR Elsevier NBO Elsevier PED Elsevier Renuga, S. oth Enthalten in Elsevier Science An, Chen-Chi ELSEVIER Developing an audio analyzer for instantaneous stroke position identification on table tennis racket to assist technical training 2017 Amsterdam [u.a.] (DE-627)ELV000384860 volume:114 year:2013 pages:1-10 extent:10 https://doi.org/10.1016/j.saa.2013.05.004 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA 50.21 Messtechnik VZ AR 114 2013 1-10 10 045F 540 |
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10.1016/j.saa.2013.05.004 doi GBVA2013003000001.pica (DE-627)ELV011349859 (ELSEVIER)S1386-1425(13)00485-X DE-627 ger DE-627 rakwb eng 540 530 540 DE-600 530 DE-600 660 VZ 50.21 bkl Muthu, S. verfasserin aut Vibrational and spectroscopic investigation on the structure of 5H-dibenzo[b,f]azipine-5-carboxamide 2013transfer abstract 10 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The Fourier transform infrared and Fourier transform Raman spectra of 5H-dibenzo[b,f]azepine-5-carboxamide are recorded in solid phase, the harmonic vibrational frequencies, infrared intensities, Raman activities, bond length, bond angle are calculated by HF and DFT methods by using 6-31G(d,p)basis set. A detailed vibrational spectral analysis has been carried out and assignments of observed fundamental bands have been proposed on basis of peak positions and relative intensities. The scaled theoretical frequencies showed very good agreement with experimental values. HOMO and LUMO energies are calculated that these energies show charge transfer occurs within the molecule. The Fourier transform infrared and Fourier transform Raman spectra of 5H-dibenzo[b,f]azepine-5-carboxamide are recorded in solid phase, the harmonic vibrational frequencies, infrared intensities, Raman activities, bond length, bond angle are calculated by HF and DFT methods by using 6-31G(d,p)basis set. A detailed vibrational spectral analysis has been carried out and assignments of observed fundamental bands have been proposed on basis of peak positions and relative intensities. The scaled theoretical frequencies showed very good agreement with experimental values. HOMO and LUMO energies are calculated that these energies show charge transfer occurs within the molecule. DFT Elsevier FT-Raman Elsevier FTIR Elsevier NBO Elsevier PED Elsevier Renuga, S. oth Enthalten in Elsevier Science An, Chen-Chi ELSEVIER Developing an audio analyzer for instantaneous stroke position identification on table tennis racket to assist technical training 2017 Amsterdam [u.a.] (DE-627)ELV000384860 volume:114 year:2013 pages:1-10 extent:10 https://doi.org/10.1016/j.saa.2013.05.004 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA 50.21 Messtechnik VZ AR 114 2013 1-10 10 045F 540 |
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| doi_str_mv |
10.1016/j.saa.2013.05.004 |
| dewey-full |
540 530 660 |
| title_sort |
vibrational and spectroscopic investigation on the structure of 5h-dibenzo[b,f]azipine-5-carboxamide |
| title_auth |
Vibrational and spectroscopic investigation on the structure of 5H-dibenzo[b,f]azipine-5-carboxamide |
| abstract |
The Fourier transform infrared and Fourier transform Raman spectra of 5H-dibenzo[b,f]azepine-5-carboxamide are recorded in solid phase, the harmonic vibrational frequencies, infrared intensities, Raman activities, bond length, bond angle are calculated by HF and DFT methods by using 6-31G(d,p)basis set. A detailed vibrational spectral analysis has been carried out and assignments of observed fundamental bands have been proposed on basis of peak positions and relative intensities. The scaled theoretical frequencies showed very good agreement with experimental values. HOMO and LUMO energies are calculated that these energies show charge transfer occurs within the molecule. |
| abstractGer |
The Fourier transform infrared and Fourier transform Raman spectra of 5H-dibenzo[b,f]azepine-5-carboxamide are recorded in solid phase, the harmonic vibrational frequencies, infrared intensities, Raman activities, bond length, bond angle are calculated by HF and DFT methods by using 6-31G(d,p)basis set. A detailed vibrational spectral analysis has been carried out and assignments of observed fundamental bands have been proposed on basis of peak positions and relative intensities. The scaled theoretical frequencies showed very good agreement with experimental values. HOMO and LUMO energies are calculated that these energies show charge transfer occurs within the molecule. |
| abstract_unstemmed |
The Fourier transform infrared and Fourier transform Raman spectra of 5H-dibenzo[b,f]azepine-5-carboxamide are recorded in solid phase, the harmonic vibrational frequencies, infrared intensities, Raman activities, bond length, bond angle are calculated by HF and DFT methods by using 6-31G(d,p)basis set. A detailed vibrational spectral analysis has been carried out and assignments of observed fundamental bands have been proposed on basis of peak positions and relative intensities. The scaled theoretical frequencies showed very good agreement with experimental values. HOMO and LUMO energies are calculated that these energies show charge transfer occurs within the molecule. |
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GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA |
| title_short |
Vibrational and spectroscopic investigation on the structure of 5H-dibenzo[b,f]azipine-5-carboxamide |
| url |
https://doi.org/10.1016/j.saa.2013.05.004 |
| remote_bool |
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| author2 |
Renuga, S. |
| author2Str |
Renuga, S. |
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| doi_str |
10.1016/j.saa.2013.05.004 |
| up_date |
2024-07-06T19:51:08.147Z |
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7.400729 |