Infrared spectroscopy of neutral water clusters at finite temperature: Evidence for a noncyclic pentamer

被引：75

作者：

Zhang, Bingbing ^{[1
]}

Yu, Yong ^{[1
,2
]}

Zhang, Yang-Yang ^{[3
]}

Jiang, Shukang ^{[1
,2
]}

Li, Qinming ^{[1
,2
]}

Hu, Han-Shi ^{[3
]}

Li, Gang ^{[1
]}

Zhao, Zhi ^{[1
]}

Wang, Chong ^{[1
]}

Xie, Hua ^{[1
]}

Zhang, Weiqing ^{[1
]}

Dai, Dongxu ^{[1
]}

Wu, Guorong ^{[1
]}

Zhang, Dong H. ^{[1
]}

Jiang, Ling ^{[1
]}

Li, Jun ^{[3
,4
]}

Yang, Xueming ^{[1
,4
]}

机构：

[1] Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China

[2] Univ Chinese Acad Sci, Beijing 100049, Peoples R China

[3] Tsinghua Univ, Dept Chem, Key Lab Organ Optoelect & Mol Engn, Minist Educ, Beijing 100084, Peoples R China

[4] Southern Univ Sci & Technol, Coll Sci, Dept Chem, Shenzhen 518055, Peoples R China

来源：

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA | 2020年 / 117卷 / 27期

基金：

中国国家自然科学基金;

关键词：

water cluster; infrared spectroscopy; hydrogen bonding; free-electron laser; PREDISSOCIATION SPECTRA; BINDING-ENERGIES; LIQUID; DYNAMICS; HEXAMER; SIGNATURE; MOLECULES; VIBRATION; ISOMERS; DIMER;

D O I：

10.1073/pnas.2000601117

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

Infrared spectroscopic study of neutral water clusters is crucial to understanding of the hydrogen-bonding networks in liquid water and ice. Here we report infrared spectra of size-selected neutral water clusters, (H2O)(n) (n = 3-6), in the OH stretching vibration region, based on threshold photoionization using a tunable vacuum ultraviolet free-electron laser. Distinct OH stretch vibrational fundamentals observed in the 3,500-3,600-cm(-1) region of (H2O)(5) provide unique spectral signatures for the formation of a noncyclic pentamer, which coexists with the global-minimum cyclic structure previously identified in the gas phase. The main features of infrared spectra of the pentamer and hexamer, (H2O)(n) (n = 5 and 6), span the entire OH stretching band of liquid water, suggesting that they start to exhibit the richness and diversity of hydrogenbonding networks in bulk water.

引用

页码：15423 / 15428

页数：6

共 56 条

[1] Gas-phase infrared spectrum of the protonated water dimer [J].