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 −

Zhu, Guo-Zhu; Liu, Yuan; Hashikawa, Yoshifumi; Zhang, Qian-Fan; Murata, Yasujiro; Wang, Lai-Sheng

doi:10.1039/C8SC01031E

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 ⁻

Journal Article · Mon Jan 01 00:00:00 EST 2018 · Chemical Science

DOI:https://doi.org/10.1039/C8SC01031E· OSTI ID:1441057

^[1]; Liu, Yuan ^[1];

^[2]; Zhang, Qian-Fan ^[1];

^[2];

^[1]

Department of Chemistry, Brown University, Providence, USA
Institute for Chemical Research, Kyoto University, Uji, Japan

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^–.

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Research Organization:: Brown Univ., Providence, RI (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences, and Biosciences Division

Grant/Contract Number:: SC0018679

OSTI ID:: 1441057

Alternate ID(s):: OSTI ID: 1594591

Journal Information:: Chemical Science, Journal Name: Chemical Science Vol. 9 Journal Issue: 25; ISSN 2041-6520

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United Kingdom

Language:: English

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Cited by: 17 works

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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 −

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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 ⁻