Water molecule dynamics inside the C<sub>60 </sub>molecular cage.
ORAL
Abstract
Fullerene molecules encapsulating one H2O molecule have been synthesized using "molecular surgery" [1, 2]. Here we present the low-temperature far- and mid-infrared spectroscopy results of H2O@C60 and C60 solid mixture studies. Para- and ortho-water lines were identified in the rotational and rovibrational spectra of H2O@C60. The vibrational frequencies of confined H2O are red-shifted and the dipole moment is reduced with respect to the gas phase. The center-of-mass quantized translational mode of H2O was observed at about 100 cm-1. The splitting of spectral lines is explained by a model taking into account electrostatic fields present in solid C60 [3].
1. K. Kurotobi and Y. Murata, Science 333, 613 (2011).
2. A. Krachmalnicoff, R. Bounds, S. Mamone, S. Alom, M. Concistr_e, B. Meier, et al., Nat. Chem. 8, 953 (2016).
3. A. Shugai, U. Nagel, Y. Murata, Jongjun Li, S. Mamone, A. Krachmalnicoff, S. Alom, R. J. Whitby, M. H. Levitt, and T. Rõõm, Infrared spectroscopy of endohedral H2O in C60, (unpublished)
1. K. Kurotobi and Y. Murata, Science 333, 613 (2011).
2. A. Krachmalnicoff, R. Bounds, S. Mamone, S. Alom, M. Concistr_e, B. Meier, et al., Nat. Chem. 8, 953 (2016).
3. A. Shugai, U. Nagel, Y. Murata, Jongjun Li, S. Mamone, A. Krachmalnicoff, S. Alom, R. J. Whitby, M. H. Levitt, and T. Rõõm, Infrared spectroscopy of endohedral H2O in C60, (unpublished)
*This research was supported by the institutional research funding IUT23-3 of the Estonian Ministry of Education and Research and the European Regional Development Fund project TK134. We thank EPSRC (UK) and the Royal Society (UK) for support.
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Presenters
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Anna Shugai
- National Institute of Chemical Physics and Biophysics