Molecular structure optimization and deconvolution of complex raman spectrum bands vibrations of indigo carmine
2022
Autori
Nikolić, NenadPagnacco, Maja C.
Maksimović, Jelena
Blagojević, Stevan N.
Senćanski, Jelena V.
Konferencijski prilog (Objavljena verzija)
Metapodaci
Prikaz svih podataka o dokumentuApstrakt
Determining the complex vibrational groups for each Raman spectrum band due to
substantial bands overlapping was a challenge of many researchers. Using an example of
fairly complex organic molecule of indigo carmine, this work exemplifies the application
of Facio software in order to give an illustration of deconvolution of complex indigo
carmine Raman bands. Moreover, this work yields a better agreement of the Raman
spectrum calculated of indigo carmine and experimental ones compared to the literature
data. This fact makes the work important in terms of singling out the vibrational groups
types in a molecule for each band in the Raman spectrum.
Ključne reči:
Indigo carmine / Molecular structure optimization / Raman spectroscopyIzvor:
16th International Conference on Fundamental and Applied Aspects of Physical Chemistry, 2022, 37-Izdavač:
- The Society of Physical Chemists of Serbia
Finansiranje / projekti:
- Ministarstvo nauke, tehnološkog razvoja i inovacija Republike Srbije, institucionalno finansiranje - 200053 (Univerzitet u Beogradu, Institut za multidisciplinarna istraživanja) (RS-MESTD-inst-2020-200053)
- Ministarstvo nauke, tehnološkog razvoja i inovacija Republike Srbije, institucionalno finansiranje - 200026 (Univerzitet u Beogradu, Institut za hemiju, tehnologiju i metalurgiju - IHTM) (RS-MESTD-inst-2020-200026)
- Ministarstvo nauke, tehnološkog razvoja i inovacija Republike Srbije, institucionalno finansiranje - 200146 (Univerzitet u Beogradu, Fakultet za fizičku hemiju) (RS-MESTD-inst-2020-200146)
- Ministarstvo nauke, tehnološkog razvoja i inovacija Republike Srbije, institucionalno finansiranje - 200051 (Institut za opštu i fizičku hemiju, Beograd) (RS-MESTD-inst-2020-200051)
Institucija/grupa
Institut za multidisciplinarna istraživanjaTY - CONF AU - Nikolić, Nenad AU - Pagnacco, Maja C. AU - Maksimović, Jelena AU - Blagojević, Stevan N. AU - Senćanski, Jelena V. PY - 2022 UR - http://rimsi.imsi.bg.ac.rs/handle/123456789/2534 AB - Determining the complex vibrational groups for each Raman spectrum band due to substantial bands overlapping was a challenge of many researchers. Using an example of fairly complex organic molecule of indigo carmine, this work exemplifies the application of Facio software in order to give an illustration of deconvolution of complex indigo carmine Raman bands. Moreover, this work yields a better agreement of the Raman spectrum calculated of indigo carmine and experimental ones compared to the literature data. This fact makes the work important in terms of singling out the vibrational groups types in a molecule for each band in the Raman spectrum. PB - The Society of Physical Chemists of Serbia C3 - 16th International Conference on Fundamental and Applied Aspects of Physical Chemistry T1 - Molecular structure optimization and deconvolution of complex raman spectrum bands vibrations of indigo carmine SP - 37 UR - https://hdl.handle.net/21.15107/rcub_rimsi_2534 ER -
@conference{ author = "Nikolić, Nenad and Pagnacco, Maja C. and Maksimović, Jelena and Blagojević, Stevan N. and Senćanski, Jelena V.", year = "2022", abstract = "Determining the complex vibrational groups for each Raman spectrum band due to substantial bands overlapping was a challenge of many researchers. Using an example of fairly complex organic molecule of indigo carmine, this work exemplifies the application of Facio software in order to give an illustration of deconvolution of complex indigo carmine Raman bands. Moreover, this work yields a better agreement of the Raman spectrum calculated of indigo carmine and experimental ones compared to the literature data. This fact makes the work important in terms of singling out the vibrational groups types in a molecule for each band in the Raman spectrum.", publisher = "The Society of Physical Chemists of Serbia", journal = "16th International Conference on Fundamental and Applied Aspects of Physical Chemistry", title = "Molecular structure optimization and deconvolution of complex raman spectrum bands vibrations of indigo carmine", pages = "37", url = "https://hdl.handle.net/21.15107/rcub_rimsi_2534" }
Nikolić, N., Pagnacco, M. C., Maksimović, J., Blagojević, S. N.,& Senćanski, J. V.. (2022). Molecular structure optimization and deconvolution of complex raman spectrum bands vibrations of indigo carmine. in 16th International Conference on Fundamental and Applied Aspects of Physical Chemistry The Society of Physical Chemists of Serbia., 37. https://hdl.handle.net/21.15107/rcub_rimsi_2534
Nikolić N, Pagnacco MC, Maksimović J, Blagojević SN, Senćanski JV. Molecular structure optimization and deconvolution of complex raman spectrum bands vibrations of indigo carmine. in 16th International Conference on Fundamental and Applied Aspects of Physical Chemistry. 2022;:37. https://hdl.handle.net/21.15107/rcub_rimsi_2534 .
Nikolić, Nenad, Pagnacco, Maja C., Maksimović, Jelena, Blagojević, Stevan N., Senćanski, Jelena V., "Molecular structure optimization and deconvolution of complex raman spectrum bands vibrations of indigo carmine" in 16th International Conference on Fundamental and Applied Aspects of Physical Chemistry (2022):37, https://hdl.handle.net/21.15107/rcub_rimsi_2534 .