Journal article
Why are Solutions of C60-Piperazine Purple at pH 11?
Fullerenes, nanotubes, and carbon nanostructures, v 15(4)
01 Jul 2007
Featured in Collection : UN Sustainable Development Goals @ Drexel
Abstract
The C
60
-piperazine mono adduct was synthesized by the reaction of C
60
and piperazine. The saturated C
60
-piperazine aqueous solution was colorless when pH is 8 or below. A purple color was developed when pH is around 9 and the pink color is most intense at pH 11. The color of the C
60
-piperazine solution fades out when pH is approaching 12 from 11, and the solution remains colorless when pH is 13 or higher. The UV-Vis spectra of the C
60
-piperazine solution were recorded at pH 4, 11 and 14. The mono-protonated C
60
-piperazine was identified to be responsible for the purple color observed. The computational investigation of the un-protonated, mono-protonated and di-protonated C
60
-piperazine was conducted at the PM3 and ZINDO(s) levels of theory. Vibronic coupling of the Jahn-Teller active vibrational mode to the electronic transition was applied to re-generate the weak absorption between 550-600 nm in the UV-Vis spectrum of the mono-protonated C
60
-piperazine.
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Details
- Title
- Why are Solutions of C60-Piperazine Purple at pH 11?
- Creators
- Hanying Xu - Kingsborough Community CollegeJun Tian - Shanghai UniversityMikhail V. Korobov - Lomonosov Moscow State UniversityKarl Sohlberg - Drexel UniversityAllan Smith - Drexel University
- Publication Details
- Fullerenes, nanotubes, and carbon nanostructures, v 15(4)
- Publisher
- Taylor & Francis Group
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Chemistry
- Web of Science ID
- WOS:000248751000005
- Scopus ID
- 2-s2.0-34547366797
- Other Identifier
- 991019168646504721
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- Collaboration types
- Domestic collaboration
- International collaboration
- Web of Science research areas
- Chemistry, Physical
- Materials Science, Multidisciplinary
- Nanoscience & Nanotechnology
- Physics, Atomic, Molecular & Chemical