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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 −

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:
ORCiD logo [1];  [1]; ORCiD logo [2];  [1]; ORCiD logo [2]; ORCiD logo [1]
+ Show Author Affiliations
  1. Department of Chemistry, Brown University, Providence, USA
  2. 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.
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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
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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.
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@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}
}
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https://doi.org/10.1039/C8SC01031E
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