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Title: Hydrogen Bonding in Liquid Ammonia

Journal Article · · Journal of Physical Chemistry Letters
ORCiD logo [1];  [1];  [1];  [2];  [1];  [2];  [2];  [1]; ORCiD logo [1]; ORCiD logo [1]
  1. Collaboratory for Advanced Computing and Simulations, Department of Chemical Engineering and Materials Science, Department of Physics & Astronomy, and Department of Computer Science, University of Southern California, Los Angeles, California 90089, United States
  2. Department of Physics, Kumamoto University, Kumamoto 860-8555, Japan
+ Show Author Affiliations

Not Available

Research Organization:
Univ. of Southern California, Los Angeles, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC0014607
OSTI ID:
1878630
Journal Information:
Journal of Physical Chemistry Letters, Journal Name: Journal of Physical Chemistry Letters Journal Issue: 30 Vol. 13; ISSN 1948-7185
Publisher:
American Chemical SocietyCopyright Statement
Country of Publication:
United States
Language:
English

References (62)

Ability of the PM3 quantum-mechanical method to modelintermolecular hydrogen bonding between neutral molecules journal January 1993
Raman spectral analysis of liquid ammonia and aqueous solution of ammonia journal January 2002
Dynamics of liquid ammonia from cold neutron scattering journal March 1974
Evaluation of one-dimensional potential energy surfaces for prediction of spectroscopic properties of hydrogen bonds in linear bonded complexes journal April 2017
A simple intermolecular potential for liquid ammonia journal February 1984
The ammonia dimer potential energy surface: resolution of the apparent discrepancy between theory and experiment? journal September 1991
Solvation of ammonium ion. A molecular dynamics simulation with nonadditive potentials journal October 1993
Structure and dynamics of water: from ambient to supercritical journal February 2001
Hydrogen bonding between hydrides of the upper-right part of the periodic table journal May 2018
Solid Ammonia Charging by Low-Energy Electrons journal February 2021
Exotic Hydrogen Bonding in Compressed Ammonia Hydrides journal May 2019
Understanding the Hydrogen-Bonded Clusters of Ammonia (NH 3 ) n ( n = 3–6): Insights from the Electronic Structure Theory journal December 2020
Quantum Calculations on Hydrogen Bonds in Certain Water Clusters Show Cooperative Effects journal December 2006
Characterization of C-H-O Hydrogen Bonds on the Basis of the Charge Density journal June 1995
Weak Hydrogen-Bonding by Second-Row (PH3, H2S) and Third-Row (AsH3, H2Se) Hydrides journal May 1994
Theoretical study of small water clusters: low-energy fused cubic structures for (H2O)n, n = 8, 12, 16, and 20 journal May 1993
The origin of hydrogen bonding. An energy decomposition study journal March 1977
Structure and properties of liquid ammonia journal May 1980
Nature of the hydrogen bond. Dimers involving electronegative atoms of the first row journal October 1971
The Nature of the Chemical Bond. Application of Results Obtained from the Quantum Mechanics and from a Theory of Paramagnetic Susceptibility to the Structure of Molecules journal April 1931
H-Atom Position as Pattern-Determining Factor in Arenethiol Films journal April 2009
Aqueous Solvation of Ammonia and Ammonium: Probing Hydrogen Bond Motifs with FT-IR and Soft X-ray Spectroscopy journal August 2017
Valence and Core-Level X-ray Photoelectron Spectroscopy of a Liquid Ammonia Microjet journal January 2019
Infrared Spectroscopy of H-Bonded Bridges Stretched across the cis -Amide Group:  II. Ammonia and Mixed Ammonia/Water Bridges journal August 2001
Study of NH Stretching Vibrations in Small Ammonia Clusters by Infrared Spectroscopy in He Droplets and ab Initio Calculations journal May 2007
NH 3 as a Strong H-Bond Donor in Singly- and Doubly-Bridged Ammonia Solvent Clusters: 2-Pyridone·(NH 3 ) n , n = 1–3 journal May 2013
Development of a ReaxFF Reactive Force Field for Ammonium Nitrate and Application to Shock Compression and Thermal Decomposition journal February 2014
Weak Hydrogen Bonding in Ethanol and Water Solutions of Liquid Volatile Inorganic Hydrides of Group IV−VI Elements (SiH 4 , GeH 4 , PH 3 , AsH 3 , H 2 S, and H 2 Se). 1. IR Spectroscopy of H Bonding in Ethanol Solutions in Hydrides journal April 1996
Ab Initio Prediction of the Phase Transition for Solid Ammonia at High Pressures journal May 2020
Dihydrogen vs. hydrogen bonding in the solvation of ammonia borane by tetrahydrofuran and liquid ammonia journal January 2018
Compressive behavior and electronic properties of ammonia ice: a first-principles study journal January 2020
Charge delocalization dynamics of ammonia in different hydrogen bonding environments: free clusters and in liquid water solution journal January 2009
Hydrogen and halogen bonds are ruled by the same mechanisms journal January 2013
Hydrogen bonding in solid ammonia from ab initio calculations journal April 2003
Comparison between hydrogen and dihydrogen bonds among H3BNH3, H2BNH2, and NH3 journal July 2003
From ab initio quantum chemistry to molecular dynamics: The delicate case of hydrogen bonding in ammonia journal September 2003
Application of database methods to the prediction of B3LYP-optimized polyhedral water cluster geometries and electronic energies journal December 2003
Self‐diffusion in liquid ammonia and deuteroammonia journal May 1973
Depolarized Rayleigh scattering and hydrogen bonding in liquid water journal June 1974
High frequency dynamics and structural relaxation process in liquid ammonia journal August 2007
Electronic properties of liquid ammonia: A sequential molecular dynamics/quantum mechanics approach journal January 2008
Simulating thermal motion in crystalline phase-I ammonia journal April 2010
Strength of hydrogen bonds of water depends on local environment journal April 2012
Liquid ammonia: Molecular correlation functions from x‐ray diffraction journal April 1977
Natural bond orbital analysis of near‐Hartree–Fock water dimer journal March 1983
Microscopic structure of low temperature liquid ammonia: A neutron diffraction experiment journal May 1995
Structure, binding energy, and intermolecular modes for the aniline/ammonia van der Waals clusters journal February 1997
Ab initio simulation of hydrogen bonding in ices under ultra-high pressure journal November 2012
Density-functional study of hydration of ammonium in water clusters journal March 1999
Simulation studies of liquid ammonia by classical ab initio , classical, and path-integral molecular dynamics journal July 1999
Mechanism for vibrational relaxation in water investigated by femtosecond infrared spectroscopy journal July 1999
Ammonia adsorption by hydrogen bond on ice and its solvation journal May 2000
Double-hybrid density-functional theory applied to molecular crystals journal July 2014
Self-interaction correction in water–ion clusters journal March 2021
Structure of liquid ammonia at high pressures and temperatures journal December 2019
Hydration of NH 4 + in Water: Bifurcated Hydrogen Bonding Structures and Fast Rotational Dynamics journal September 2020
Structure and dynamics of bipolarons in liquid ammonia journal April 1992
Detection of ammonia on Pluto’s surface in a region of geologically recent tectonism journal May 2019
Does Ammonia Hydrogen Bond? journal December 1987
Molecular Interactions and Hydrogen Bond Tunneling Dynamics: Some New Perspectives journal March 1993
Hydrogen bond lifetime for water in classic and quantum molecular dynamics journal June 2013
Characteristics of hydrogen bond revealed from water clusters journal September 2014

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Ammonia
Electrical properties
Liquids
Molecules
Noncovalent interactions