Infrared Spectroscopy of Neutral Water Dimer Based on a Tunable Vacuum Ultraviolet Free Electron Laser

Zhang，Bingbing1; Yu，Yong1,4; Zhang，Zhaojun1; Zhang，Yang Yang2; Jiang，Shukang1,4; Li，Qinming1,4; Yang，Shuo1,4; Hu，Han Shi2; Zhang，Weiqing1; Dai，Dongxu1; Wu，Guorong1; Li，Jun2,3; Zhang，Dong H.1; Yang，Xueming1,3; Jiang，Ling1

2020-02-06

10.1021/acs.jpclett.9b03683

Journal of Physical Chemistry Letters   影响因子和分区

19487185

1948-7185

Infrared (IR) spectroscopy provides detailed structural and dynamical information on clusters at the fingerprint level. Herein, we demonstrate the capability of a tunable vacuum ultraviolet free electron laser (VUV-FEL) for selective detection of a wide variety of neutral water clusters and for recording the size-dependent IR spectra. The present technique does not require the presence of an ultraviolet chromophore or a dipole moment and is generally applicable for IR spectroscopy of neutral clusters free from confinement. To show the features of our technique, we report here the IR spectra of neutral water dimer in the OH stretch region, providing benchmarks for theoretical study of the accurate description of hydrogen bonding structures involved in liquid water and ice. Quantum mechanical calculations on a 12-dimensional ab initio potential energy surface are utilized to simulate the anharmonic vibrational spectra of water dimer. These results help to resolve the controversy of the exact vibrational assignment of each band feature of the water dimer.

SCI ; EI

英语

NI期刊 ; NI论文

通讯

Dalian Institute of Chemical Physics[DICP DCLS201702] ; K. C. Wong Education Foundation[GJTD-2018-06] ; Science Challenge Project[TZ2016004]

Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics

Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Atomic, Molecular & Chemical

WOS:000512223400039

American Chemical Society

20200908221247

Calculations ; Chromophores ; Electrons ; Hydrogen bonds ; Infrared spectroscopy ; Potential energy ; Quantum chemistry ; Quantum theory ; Ultraviolet lasers ; Vibrations (mechanical)

Lasers, General:744.1 ; Free Electron Lasers:744.5 ; Physical Chemistry:801.4 ; Organic Compounds:804.1 ; Mathematics:921 ; Mechanics:931.1 ; Quantum Theory; Quantum Mechanics:931.4

2-s2.0-85079078562

Scopus

1.State Key Laboratory of Molecular Reaction Dynamics,Collaborative Innovation Center of Chemistry for Energy and Materials,Dalian Institute of Chemical Physics,Chinese Academy of Sciences,Dalian,457 Zhongshan Road,116023,China
2.Key Laboratory of Organic Optoelectronics and Molecular Engineering of the Ministry of Education,Department of Chemistry,Tsinghua University,Beijing,100084,China
3.Department of Chemistry,School of Science,Southern University of Science and Technology,Shenzhen,518055,China
4.University of Chinese Academy of Sciences,Beijing,19A Yuquan Road,100049,China

Zhang，Bingbing,Yu，Yong,Zhang，Zhaojun,et al. Infrared Spectroscopy of Neutral Water Dimer Based on a Tunable Vacuum Ultraviolet Free Electron Laser[J]. Journal of Physical Chemistry Letters,2020,11(3):851-855.

Zhang，Bingbing.,Yu，Yong.,Zhang，Zhaojun.,Zhang，Yang Yang.,Jiang，Shukang.,...&Jiang，Ling.(2020).Infrared Spectroscopy of Neutral Water Dimer Based on a Tunable Vacuum Ultraviolet Free Electron Laser.Journal of Physical Chemistry Letters,11(3),851-855.

Zhang，Bingbing,et al."Infrared Spectroscopy of Neutral Water Dimer Based on a Tunable Vacuum Ultraviolet Free Electron Laser".Journal of Physical Chemistry Letters 11.3(2020):851-855.