Spectroscopic identification and structural characterization of Ag2H2− by mass-selected photoelectron velocity-map imaging

Ya Li; Xiaoying Chen; Yonghong Yan; Xinru Chen; Xiaoyue Yao; Fuqiang Zhang; Jianfeng Jia; Zhiling Liu

doi:10.1063/5.0342275

Spectroscopic identification and structural characterization of Ag2H2− by mass-selected photoelectron velocity-map imaging

Y Ya Li X Xiaoying Chen Y Yonghong Yan (School of Chemistry and Chemical Engineering, Key Laboratory of Magnetic Molecules and Magnetic Information Materials, The Ministry of Education, Shanxi Normal University 2 , No. 339, Taiyu Road, Taiyuan, Shanxi 030031,) X Xinru Chen X Xiaoyue Yao (School of Chemistry and Chemical Engineering, Key Laboratory of Magnetic Molecules and Magnetic Information Materials, The Ministry of Education, Shanxi Normal University 2 , No. 339, Taiyu Road, Taiyuan, Shanxi 030031,) F Fuqiang Zhang (School of Chemistry and Chemical Engineering, Key Laboratory of Magnetic Molecules and Magnetic Information Materials, The Ministry of Education, Shanxi Normal University 2 , No. 339, Taiyu Road, Taiyuan, Shanxi 030031,) J Jianfeng Jia (School of Chemistry and Chemical Engineering, Key Laboratory of Magnetic Molecules and Magnetic Information Materials, The Ministry of Education, Shanxi Normal University 2 , No. 339, Taiyu Road, Taiyuan, Shanxi 030031,) Z Zhiling Liu (School of Chemistry and Chemical Engineering, Key Laboratory of Magnetic Molecules and Magnetic Information Materials, The Ministry of Education, Shanxi Normal University 2 , No. 339, Taiyu Road, Taiyuan, Shanxi 030031,)

Abstract

Ag2H2− is identified and characterized by photoelectron velocity-map imaging and quantum chemical calculations. High-resolution mass selection unambiguously confirms the formation of Ag2H2−, yielding a vibrationally resolved spectrum with a distinct progression assigned to the Ag–H stretching mode. Comparison between experiment and theory shows that Ag2H2− adopts a distorted Y-shaped geometry with one bridging H and one terminal H, while for neutral Ag2H2, this geometry is a local minimum. Further bonding analysis of the corresponding neutral counterpart reveals that the unusually low Ag–H stretching frequency originates from synergistic donation and back-donation between the two AgH subunits.

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Article Details

Journal The Journal of Chemical Physics

Volume / Issue Vol. 164, Issue 24

Published June 28, 2026

DOI 10.1063/5.0342275

ISSN 0021-9606

Publisher American Institute of Physics

Journal Info

The Journal of Chemical Physics

American Institute of Physics

ISSN: 0021-9606 Physical Sciences

Authors (8)

Y

Ya Li

X

Xiaoying Chen

Y

Yonghong Yan