Snapshots of Proton Accommodation at a Microscopic Water Surface: Understanding the Vibrational Spectral Signatures of the Charge Defect in Cryogenically Cooled H+(H2O)n=2

Snapshots of Proton Accommodation at a Microscopic Water Surface: Understanding the Vibrational Spectral Signatures of the Charge Defect in Cryogenically Cooled H+(H2O)n=2–28 Clusters

Published:2015-07-30 Issue:36 Volume:119 Page:9425-9440
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Fournier Joseph A.¹,Wolke Conrad T.¹,Johnson Mark A.¹,Odbadrakh Tuguldur T.²,Jordan Kenneth D.²,Kathmann Shawn M.³,Xantheas Sotiris S.³

Affiliation:

1. Sterling Chemistry Laboratory, Yale University, New Haven, Connecticut 06520, United States

2. Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15620, United States

3. Physical Sciences Division, Pacific Northwest National Laboratory, 902 Battelle Boulevard, P.O. Box 999, MS K1-83, Richland, Washington 99352, United States

Funder

U.S. Department of Energy

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.5b04355

Reference118 articles.

1. The nature of the hydrated excess proton in water

2. Concerted Hydrogen-Bond Dynamics in the Transport Mechanism of the Hydrated Proton: A First-Principles Molecular Dynamics Study

3. The quantum dynamics of an excess proton in water