Probing the interaction between the encapsulated water molecule and the fullerene cages in H 2 O@C 60 − and H 2 O@C 59 N −
Abstract
We report a high-resolution photoelectron imaging study of cryogenically-cooled H2O@C60– and H2O@C59N– endohedral fullerene anions. The electron affinity (EA) of H2O@C60 is measured to be 2.6923 ± 0.0008 eV, which is 0.0088 eV higher than the EA of C60, while the EA of H2O@C59N is measured to be 3.0058 eV ± 0.0007 eV, which is 0.0092 eV lower than the EA of C59N. The opposite shifts are found to be due to the different electrostatic interactions between the encapsulated water molecule and the fullerene cages in the two systems. There is a net coulombic attraction between the guest and host in H2O@C60–, but a repulsive interaction in H2O@C59N–. We have also observed low-frequency features in the photoelectron spectra tentatively attributed to the hindered rotational excitations of the encapsulated H2O molecule, providing further insights into the guest–host interactions in H2O@C60– and H2O@C59N–.
- Authors:
-
- Department of Chemistry, Brown University, Providence, USA
- Institute for Chemical Research, Kyoto University, Uji, Japan
- Publication Date:
- Research Org.:
- Brown Univ., Providence, RI (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences, and Biosciences Division
- OSTI Identifier:
- 1441057
- Alternate Identifier(s):
- OSTI ID: 1594591
- Grant/Contract Number:
- SC0018679
- Resource Type:
- Published Article
- Journal Name:
- Chemical Science
- Additional Journal Information:
- Journal Name: Chemical Science Journal Volume: 9 Journal Issue: 25; Journal ID: ISSN 2041-6520
- Publisher:
- Royal Society of Chemistry
- Country of Publication:
- United Kingdom
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Zhu, Guo-Zhu, Liu, Yuan, Hashikawa, Yoshifumi, Zhang, Qian-Fan, Murata, Yasujiro, and Wang, Lai-Sheng. Probing the interaction between the encapsulated water molecule and the fullerene cages in H 2 O@C 60 − and H 2 O@C 59 N −. United Kingdom: N. p., 2018.
Web. doi:10.1039/C8SC01031E.
Zhu, Guo-Zhu, Liu, Yuan, Hashikawa, Yoshifumi, Zhang, Qian-Fan, Murata, Yasujiro, & Wang, Lai-Sheng. Probing the interaction between the encapsulated water molecule and the fullerene cages in H 2 O@C 60 − and H 2 O@C 59 N −. United Kingdom. https://doi.org/10.1039/C8SC01031E
Zhu, Guo-Zhu, Liu, Yuan, Hashikawa, Yoshifumi, Zhang, Qian-Fan, Murata, Yasujiro, and Wang, Lai-Sheng. Mon .
"Probing the interaction between the encapsulated water molecule and the fullerene cages in H 2 O@C 60 − and H 2 O@C 59 N −". United Kingdom. https://doi.org/10.1039/C8SC01031E.
@article{osti_1441057,
title = {Probing the interaction between the encapsulated water molecule and the fullerene cages in H 2 O@C 60 − and H 2 O@C 59 N −},
author = {Zhu, Guo-Zhu and Liu, Yuan and Hashikawa, Yoshifumi and Zhang, Qian-Fan and Murata, Yasujiro and Wang, Lai-Sheng},
abstractNote = {We report a high-resolution photoelectron imaging study of cryogenically-cooled H2O@C60– and H2O@C59N– endohedral fullerene anions. The electron affinity (EA) of H2O@C60 is measured to be 2.6923 ± 0.0008 eV, which is 0.0088 eV higher than the EA of C60, while the EA of H2O@C59N is measured to be 3.0058 eV ± 0.0007 eV, which is 0.0092 eV lower than the EA of C59N. The opposite shifts are found to be due to the different electrostatic interactions between the encapsulated water molecule and the fullerene cages in the two systems. There is a net coulombic attraction between the guest and host in H2O@C60–, but a repulsive interaction in H2O@C59N–. We have also observed low-frequency features in the photoelectron spectra tentatively attributed to the hindered rotational excitations of the encapsulated H2O molecule, providing further insights into the guest–host interactions in H2O@C60– and H2O@C59N–.},
doi = {10.1039/C8SC01031E},
journal = {Chemical Science},
number = 25,
volume = 9,
place = {United Kingdom},
year = {Mon Jan 01 00:00:00 EST 2018},
month = {Mon Jan 01 00:00:00 EST 2018}
}
https://doi.org/10.1039/C8SC01031E
Web of Science
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