Molecular structure optimization and deconvolution of complex raman spectrum bands vibrations of indigo carmine
2022
Аутори
Nikolić, NenadPagnacco, Maja C.
Maksimović, Jelena
Blagojević, Stevan N.
Senćanski, Jelena V.
Конференцијски прилог (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
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.
Кључне речи:
Indigo carmine / Molecular structure optimization / Raman spectroscopyИзвор:
16th International Conference on Fundamental and Applied Aspects of Physical Chemistry, 2022, 37-Издавач:
- The Society of Physical Chemists of Serbia
Финансирање / пројекти:
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200053 (Универзитет у Београду, Институт за мултидисциплинарна истраживања) (RS-MESTD-inst-2020-200053)
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200026 (Универзитет у Београду, Институт за хемију, технологију и металургију - ИХТМ) (RS-MESTD-inst-2020-200026)
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200146 (Универзитет у Београду, Факултет за физичку хемију) (RS-MESTD-inst-2020-200146)
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200051 (Институт за општу и физичку хемију, Београд) (RS-MESTD-inst-2020-200051)
Институција/група
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 .