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Exploring the Origins of Spectral Signatures of Strong Hydrogen Bonding in Protonated Water Clusters

Journal Article · · Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory
 [1];  [2]
  1. Department of Chemistry, University of Washington, Seattle, Washington 98195, United States; OSTI
  2. Department of Chemistry, University of Washington, Seattle, Washington 98195, United States
+ Show Author Affiliations
Not provided.
Research Organization:
Univ. of Washington, Seattle, WA (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
DOE Contract Number:
SC0021081
OSTI ID:
1977954
Journal Information:
Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory, Journal Name: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory Journal Issue: 8 Vol. 126; ISSN 1089-5639
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English

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Disentangling the Complex Vibrational Mechanics of the Protonated Water Trimer by Rational Control of Its Hydrogen Bonds journal August 2019
Vibrationally Induced Interconversion of H-Bonded NO 2 − ·H 2 O Isomers within NO 2 − ·H 2 O·Ar m Clusters Using IR−IR Pump−Probe through the OH and NO Stretching Vibrations journal February 2009
Spectroscopic snapshots of the proton-transfer mechanism in water journal December 2016
Unraveling the Anomalous Solvatochromic Response of the Formate Ion Vibrational Spectrum: An Infrared, Ar-Tagging Study of the HCO 2 ¯ , DCO 2 ¯ , and HCO 2 ¯ ·H 2 O Ions journal September 2011
Infrared-induced coherent vibration of a hydrogen-bonded system: Effects of mechanical and electrical anharmonic couplings journal July 2009
Vibrational Spectroscopy of the Ionic Hydrogen Bond:  Fermi Resonances and Ion−Molecule Stretching Frequencies in the Binary X - ·H 2 O (X = Cl, Br, I) Complexes via Argon Predissociation Spectroscopy journal November 1998
The infrared spectrum of the O⋯H⋯O fragment of H[sub 5]O[sub 2][sup +]: Ab initio classical molecular dynamics and quantum 4D model calculations journal January 2001
Prying Apart a Water Molecule with Anionic H-Bonding:  A Comparative Spectroscopic Study of the X - ·H 2 O (X = OH, O, F, Cl, and Br) Binary Complexes in the 600−3800 cm -1 Region journal April 2006
Deconstructing Prominent Bands in the Terahertz Spectra of H 7 O 3 + and H 9 O 4 + : Intermolecular Modes in Eigen Clusters journal February 2018
Infrared Spectroscopy of Small Protonated Water Clusters, H + (H 2 O) n ( n = 2−5): Isomers, Argon Tagging, and Deuteration journal April 2010
Disentangling the Complex Vibrational Spectrum of the Protonated Water Trimer, H + (H 2 O) 3 , with Two-Color IR-IR Photodissociation of the Bare Ion and Anharmonic VSCF/VCI Theory journal August 2017
Infrared Spectroscopy of the Mass 31 Cation: Protonated Formaldehyde vs Methoxy journal September 2012
Spectral signatures of proton delocalization in H + (H 2 O) n=1−4 ions journal January 2018
The vibrational predissociation spectra of the H5O2+∙RGn(RG=Ar,Ne) clusters: Correlation of the solvent perturbations in the free OH and shared proton transitions of the Zundel ion journal June 2005
Unraveling the structural and chemical features of biological short hydrogen bonds journal January 2019
Nonadiabatic vibrational dynamics in the HCO2−⋅H2O complex journal October 2015
Isolating the Contributions of Specific Network Sites to the Diffuse Vibrational Spectrum of Interfacial Water with Isotopomer-Selective Spectroscopy of Cold Clusters journal December 2020
Coupling of torsion and OH-stretching in tert -butyl hydroperoxide. II. The OH-stretching fundamental and overtone spectra journal April 2021
Vibrational Spectroscopy of the Water–Nitrate Complex in the O–H Stretching Region journal April 2014
Ab initio studies of cyclic water clusters (H 2 O) n , n =1–6. I. Optimal structures and vibrational spectra journal December 1993
Large anharmonic effects in the infrared spectra of the symmetrical CH3NO2−⋅(H2O) and CH3CO2−⋅(H2O) complexes journal November 2003
Using Diffusion Monte Carlo Wave Functions to Analyze the Vibrational Spectra of H 7 O 3 + and H 9 O 4 + journal August 2021
Capturing intrinsic site-dependent spectral signatures and lifetimes of isolated OH oscillators in extended water networks journal November 2019
Tag-Free and Isotopomer-Selective Vibrational Spectroscopy of the Cryogenically Cooled H 9 O 4 + Cation with Two-Color, IR–IR Double-Resonance Photoexcitation: Isolating the Spectral Signature of a Single OH Group in the Hydronium Ion Core journal October 2018
A novel discrete variable representation for quantum mechanical reactive scattering via the S ‐matrix Kohn method journal February 1992
Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. II. Infrared spectrum and vibrational dynamics journal November 2007

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