Electric field control of proton-transfer molecular switching: molecular dynamics study on salicylidene aniline
Literature Information
Joanna Sadlej, Andrzej L. Sobolewski
In this letter, we propose a novel, ultrafast, efficient molecular switch whose switching mechanism involves the electric field-driven intramolecular proton transfer. By means of ab initio quantum chemical calculations and on-the-fly dynamics simulations, we examine the switching performance of an isolated salicylidene aniline molecule and analyze the perspectives of its possible use as an electric field-controlled molecular electronics unit.
Related Literature
The pressure dependence of the solid state structure of biphenyl from DFT calculations
Oliver Potzel, Gerhard Taubmann
DOI: 10.1039/C3CP53680G
Gas phase electronic spectra of carbon chains Cn (n = 6–9)
Xiaojing Chen, Mathias Steglich, Varun Gupta, Corey A. Rice, John P. Maier
DOI: 10.1039/C3CP54299H
A primer on the synthesis, water-solubilization, and functionalization of quantum dots, their use as biological sensing agents, and present status
Christina Marie Tyrakowski, Preston Todd Snee
DOI: 10.1039/C3CP53502A
Measurements of short distances between trityl spin labels with CW EPR, DQC and PELDOR
Nitin C. Kunjir, Snorri Th. Sigurdsson
DOI: 10.1039/C3CP52789A
Effects of resonant excitation, pulse duration and intensity on photoelectron imaging of a dianion
Daniel A. Horke, Jan R. R. Verlet
DOI: 10.1039/C3CP53235F
Gas-phase spectroscopy of protonated adenine, adenosine 5′-monophosphate and monohydrated ions
Sara Øvad Pedersen, Kristian Støchkel, Camilla Skinnerup Byskov, Lisbeth Munksgaard Baggesen, Steen Brøndsted Nielsen
DOI: 10.1039/C3CP53742K
On the structure of the thiolated Au15 cluster
Alfredo Tlahuice-Flores, Miguel Jose-Yacamán, Robert L. Whetten
DOI: 10.1039/C3CP53837K
Three-dimensional ordered macroporous MnO2/carbon nanocomposites as high-performance electrodes for asymmetric supercapacitors
Chunzhen Yang, Ming Zhou, Qian Xu
DOI: 10.1039/C3CP53504E
Mobility enhancement of SnO2 nanowire transistors gated with a nanogranular SiO2 solid electrolyte
DOI: 10.1039/C3CP54142H
You might also like
How should 2-Methylbenzene-1,4-diamine dihydrochloride (CAS: 615-45-2) be stored?
2-Methylbenzene-1,4-diamine dihydrochloride (CAS: 615-45-2) should be stored in ...
Is (1S,4S)-2,5-Diazabicyclo[2.2.1]heptane dihydrobromide (CAS: 132747-20-7) safe?
(1S,4S)-2,5-Diazabicyclo[2.2.1]heptane dihydrobromide is generally considered sa...
What industries use (6-Chloropyridazin-3-YL)methanamine (CAS: 871826-15-2)?
(6-Chloropyridazin-3-YL)methanamine finds applications in the pharmaceutical ind...
What are the main uses of 2-Fluoro-3-methylphenol (CAS: 77772-72-6)?
2-Fluoro-3-methylphenol is primarily used in the synthesis of pharmaceuticals, p...
What precautions should be taken when handling 3-Methoxy-4-nitrobenzonitrile (CAS: 177476-75-4)?
When handling 3-Methoxy-4-nitrobenzonitrile, it is important to wear appropriate...
What precautions should be taken when handling 1,3-Oxazolo[4,5-b]pyridine-2(3H)-thione (CAS: 211949-57-4)?
When handling 1,3-Oxazolo[4,5-b]pyridine-2(3H)-thione (CAS: 211949-57-4), it is ...
What regulatory guidelines apply to 4-Ethynylbenzamide (CAS: 90347-86-7)?
4-Ethynylbenzamide (CAS: 90347-86-7) falls under various regulatory guidelines i...
What are the main uses of 3-(2-Ethylphenyl)-2-thioxo-4-imidazolidinone (CAS: 186822-57-1)?
3-(2-Ethylphenyl)-2-thioxo-4-imidazolidinone is primarily used as an intermediat...
What is (2-Fluoro-6-methoxyphenyl)acetic acid (CAS: 500912-19-6)?
(2-Fluoro-6-methoxyphenyl)acetic acid, also known as 4-fluoro-3-methoxybenzoic a...
What is the market or research trend for 2-[4-(Hydroxymethyl)phenoxy]ethanol (CAS: 102196-18-9)?
Market trends for 2-[4-(Hydroxymethyl)phenoxy]ethanol (CAS: 102196-18-9) indicat...
Source Journal
Physical Chemistry Chemical Physics

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.











![Methyl 2-[5-(3-Phenoxyphenyl)-2H-tetrazol-2-yl]acetate structure Methyl 2-[5-(3-Phenoxyphenyl)-2H-tetrazol-2-yl]acetate structure](https://static.chemtradehub.com/structs/130/1305320-60-8-84b4.webp)
![trans-2-{[(Tert-butoxy)carbonyl]amino}cyclobutane-1-carboxylic acid structure trans-2-{[(Tert-butoxy)carbonyl]amino}cyclobutane-1-carboxylic acid structure](https://static.chemtradehub.com/structs/951/951173-25-4-27cd.webp)

![3-[(3R,4R)-3-[(6-aminopyrimidin-4-yl)-methyl-amino]-4-methyl-1-piperidyl]-3-oxo-propanenitrile structure 3-[(3R,4R)-3-[(6-aminopyrimidin-4-yl)-methyl-amino]-4-methyl-1-piperidyl]-3-oxo-propanenitrile structure](https://static.chemtradehub.com/structs/164/1640971-60-3-83a4.webp)