The OH stretch vibration of liquid water reveals hydrogen-bond clusters

Literature Information

Publication Date 2010-07-30
DOI 10.1039/C004579A
Impact Factor 3.676
Authors

Sean Garrett-Roe, Peter Hamm


View Original

Abstract

Using molecular dynamics simulations, we investigate the fluctuations of the hydrogen-bond network in liquid water and its relation to vibrational spectroscopy. We show that the high-frequency shoulder, which is most evidently found in Raman spectra of the OH stretch vibration of isotope diluted water, is (at least to a certain extent) related to a three-fold hydrogen-bonded ring. This suggests that it is not always sufficient to classify individual water molecules when studying some aspects of hydrogen-bond dynamics, rather, one should consider the topology of the local structure around a given water molecule.

Related Literature

Charge carrier separation in nanostructured TiO2 photoelectrodes for water splitting

Alexander J. Cowan, Wenhua Leng, Piers R. F. Barnes, David R. Klug, James R. Durrant

2013-04-17 Paper

DOI: 10.1039/C3CP50318F

Back cover

Cover

DOI: 10.1039/C3CP90065G

Atomic pair distribution functions analysis of disordered low-Z materials

V. Petkov, Y. Ren, S. Kabekkodu, D. Murphy

2012-12-13 Paper

DOI: 10.1039/C2CP43378H

A multi-scale molecular dynamics study of the assembly of micron-size supraparticles from 30 nm alkyl-coated nanoparticles

Damien Thompson, Mateusz Sikora, Piotr Szymczak, Marek Cieplak

2013-04-09 Paper

DOI: 10.1039/C3CP50523E

Chemically modified ribbon edge stimulated H2 dissociation: a first-principles computational study

Ting Liao, Ziqi Sun, Aijun Du, Sean Smith

2013-04-12 Communication

DOI: 10.1039/C3CP50654A

Insights into the adsorption and energy transfer of Ag clusters on the AgCl(100) surface

Xiangchao Ma, Ying Dai, Meng Guo, Yingtao Zhu, Baibiao Huang

2013-01-30 Paper

DOI: 10.1039/C3CP44519D

In situXRD studies of nanocrystallization of Fe-based metallic glass: a comparative study by reciprocal and direct space methods

Jozef Bednarcik, Stefan Michalik, Vladimir Kolesar, Uta Rütt, Hermann Franz

2013-04-15 Paper

DOI: 10.1039/C3CP44445G

Synthesis of chemically pure, luminescent Eu3+ doped HAp nanoparticles: a promising fluorescent probe for in vivo imaging applications

S. Sasanka Kumar, Manoj Komath, Manoj Raama Varma, M. K. Jayaraj, K. Rajeev Kumar

2013-04-12 Paper

DOI: 10.1039/C3CP42648C

Controlled electrochemical deposition and transformation of hetero-nanoarchitectured electrodes for energy storage

Jonathon Duay, Eleanor Gillette, Junkai Hu

2013-04-17 Perspective

DOI: 10.1039/C3CP50724F

Field effect transistors and RC filters from pencil-trace on paper

Narendra Kurra, Dipanwita Dutta, Giridhar U. Kulkarni

2013-03-25 Paper

DOI: 10.1039/C3CP50675D

You might also like

Compound Q&A

What precautions should be taken when handling 2-Chloro-1,2-bis(4-methylphenyl)ethanone (CAS: 71193-32-3)?

When handling 2-Chloro-1,2-bis(4-methylphenyl)ethanone (CAS: 71193-32-3), it is ...

71193-32-32-Chloro-1,2-bis(4-m...
Compound Q&A

What industries use 4-Ethoxy-3-(5-methyl-4-oxo-7-propyl-1,4-dihydroimidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride (CAS: 224789-26-8)?

4-Ethoxy-3-(5-methyl-4-oxo-7-propyl-1,4-dihydroimidazo[5,1-f][1,2,4]triazin-2-yl...

224789-26-84-Ethoxy-3-(5-methyl...
Compound Q&A

How should Methyl 3-Oxo-4-Androsten-17-Carboxylate (CAS: 2681-55-2) be stored?

Methyl 3-Oxo-4-Androsten-17-Carboxylate (CAS: 2681-55-2) should be stored in a c...

2681-55-2Methyl 3-Oxo-4-Andro...
Compound Q&A

What are the main uses of (R)-3-Amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid (CAS: 909725-61-7)?

(R)-3-Amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid is primarily used i...

909725-61-7(R)-3-Amino-4-(3-hex...
Compound Q&A

What regulatory guidelines apply to 2-Methyl-2-propanyl 3-amino-3-carbamoyl-1-azetidinecarboxylate (CAS: 1254120-14-3)?

2-Methyl-2-propanyl 3-amino-3-carbamoyl-1-azetidinecarboxylate (CAS: 1254120-14-...

1254120-14-32-Methyl-2-propanyl ...
Compound Q&A

Are there alternatives to (E)-4-(tert-Butoxy)-4-oxobut-2-enoic acid (CAS: 135355-96-3) in synthesis?

There are alternative reagents that can be used in synthesis instead of (E)-4-(t...

135355-96-3(E)-4-(tert-Butoxy)-...
Compound Q&A

What are the physical and chemical properties of [2-(3-Chlorophenyl)-1,3-thiazol-4-yl]methanol (CAS: 121202-20-8)?

[2-(3-Chlorophenyl)-1,3-thiazol-4-yl]methanol (CAS: 121202-20-8) is a crystallin...

121202-20-8[2-(3-Chlorophenyl)-...
166249-17-8Methyl (2S)-[(4S)-2,...
Compound Q&A

What is the market or research trend for 1-Bromo-2-isocyanatoethane (CAS: 42865-19-0)?

The market for 1-Bromo-2-isocyanatoethane (CAS: 42865-19-0) is driven by its use...

42865-19-01-Bromo-2-isocyanato...
Compound Q&A

What are the main uses of 4-Nitro-D-phenylalanine hydrochloride (CAS: 147065-06-3)?

4-Nitro-D-phenylalanine hydrochloride (CAS: 147065-06-3) is primarily used in re...

147065-06-34-Nitro-D-phenylalan...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.