Recent Advances in IR and UV/VIS Spectroscopic Characterization of the C-76 and C-84 Isomers of D-2 Symmetry
Abstract
The stable isomers of the higher fullerenes C-76 and C-84 with D-2 symmetry as well as the basic fullerenes C-60 and C-70 were isolated from carbon soot and characterized by the new and advanced methods, techniques, and processes. The validity of several semiempirical, ab initio, and DFT theoretical calculations in predicting the general pattern of IR absorption and the vibrational frequencies, as well as the molecular electronic structure of the C-76 and C-84 isomers of D-2 symmetry, is confirmed, based on recent experimental results. An excellent correlation was found between the previously reported theoretical data and the recently obtained experimental results for these molecules over the relevant spectral range for the identification of fullerenes. These results indicate that there are no errors in the calculations in the significant spectral regions, the assumptions that were based on previous comparisons with partial experimental results. Isolated fullerenes are important for th...eir applications in electronic and optical devices, solar cells, optical limiting, sensors, polymers, nanophotonic materials, diagnostic and therapeutic agents, health and environment protection, and so forth.
Source:
Journal of Nanomaterials, 2014Publisher:
- Hindawi Publishing Corporation, New York
Funding / projects:
- Functionalization of Nanomaterials for obtaining new contact lenses, and early diagnostics of diabetes (RS-MESTD-Integrated and Interdisciplinary Research (IIR or III)-45009)
DOI: 10.1155/2014/701312
ISSN: 1687-4110
WoS: 000346996700001
Scopus: 2-s2.0-84963902497
Collections
Institution/Community
Hemijski fakultet / Faculty of ChemistryTY - JOUR AU - Jovanović, Tamara AU - Koruga, Đuro AU - Jovančićević, Branimir PY - 2014 UR - https://cherry.chem.bg.ac.rs/handle/123456789/1893 AB - The stable isomers of the higher fullerenes C-76 and C-84 with D-2 symmetry as well as the basic fullerenes C-60 and C-70 were isolated from carbon soot and characterized by the new and advanced methods, techniques, and processes. The validity of several semiempirical, ab initio, and DFT theoretical calculations in predicting the general pattern of IR absorption and the vibrational frequencies, as well as the molecular electronic structure of the C-76 and C-84 isomers of D-2 symmetry, is confirmed, based on recent experimental results. An excellent correlation was found between the previously reported theoretical data and the recently obtained experimental results for these molecules over the relevant spectral range for the identification of fullerenes. These results indicate that there are no errors in the calculations in the significant spectral regions, the assumptions that were based on previous comparisons with partial experimental results. Isolated fullerenes are important for their applications in electronic and optical devices, solar cells, optical limiting, sensors, polymers, nanophotonic materials, diagnostic and therapeutic agents, health and environment protection, and so forth. PB - Hindawi Publishing Corporation, New York T2 - Journal of Nanomaterials T1 - Recent Advances in IR and UV/VIS Spectroscopic Characterization of the C-76 and C-84 Isomers of D-2 Symmetry DO - 10.1155/2014/701312 ER -
@article{ author = "Jovanović, Tamara and Koruga, Đuro and Jovančićević, Branimir", year = "2014", abstract = "The stable isomers of the higher fullerenes C-76 and C-84 with D-2 symmetry as well as the basic fullerenes C-60 and C-70 were isolated from carbon soot and characterized by the new and advanced methods, techniques, and processes. The validity of several semiempirical, ab initio, and DFT theoretical calculations in predicting the general pattern of IR absorption and the vibrational frequencies, as well as the molecular electronic structure of the C-76 and C-84 isomers of D-2 symmetry, is confirmed, based on recent experimental results. An excellent correlation was found between the previously reported theoretical data and the recently obtained experimental results for these molecules over the relevant spectral range for the identification of fullerenes. These results indicate that there are no errors in the calculations in the significant spectral regions, the assumptions that were based on previous comparisons with partial experimental results. Isolated fullerenes are important for their applications in electronic and optical devices, solar cells, optical limiting, sensors, polymers, nanophotonic materials, diagnostic and therapeutic agents, health and environment protection, and so forth.", publisher = "Hindawi Publishing Corporation, New York", journal = "Journal of Nanomaterials", title = "Recent Advances in IR and UV/VIS Spectroscopic Characterization of the C-76 and C-84 Isomers of D-2 Symmetry", doi = "10.1155/2014/701312" }
Jovanović, T., Koruga, Đ.,& Jovančićević, B.. (2014). Recent Advances in IR and UV/VIS Spectroscopic Characterization of the C-76 and C-84 Isomers of D-2 Symmetry. in Journal of Nanomaterials Hindawi Publishing Corporation, New York.. https://doi.org/10.1155/2014/701312
Jovanović T, Koruga Đ, Jovančićević B. Recent Advances in IR and UV/VIS Spectroscopic Characterization of the C-76 and C-84 Isomers of D-2 Symmetry. in Journal of Nanomaterials. 2014;. doi:10.1155/2014/701312 .
Jovanović, Tamara, Koruga, Đuro, Jovančićević, Branimir, "Recent Advances in IR and UV/VIS Spectroscopic Characterization of the C-76 and C-84 Isomers of D-2 Symmetry" in Journal of Nanomaterials (2014), https://doi.org/10.1155/2014/701312 . .