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Structure and reactivity/selectivity control by oriented-external electric fields
This is a tutorial on use of external-electric-fields (EEFs) as effectors of chemical change.
The tutorial instructs readers how to conceptualize and design electric-field effects on bonds …
The tutorial instructs readers how to conceptualize and design electric-field effects on bonds …
External electric field effects on chemical structure and reactivity
In recent years, external electric fields (EEFs) have captured some spotlight as novel
effectors of chemical change. EEFs directly impact the structure of molecular systems. For …
effectors of chemical change. EEFs directly impact the structure of molecular systems. For …
Energy components in energy decomposition analysis (EDA) are path functions; why does it matter?
DM Andrada, C Foroutan-Nejad - Physical Chemistry Chemical …, 2020 - pubs.rsc.org
Here, we discuss that unlike bond dissociation energy (BDE) that is a state function quantity,
the energy components of the energy decomposition analysis (EDA), ie electrostatic …
the energy components of the energy decomposition analysis (EDA), ie electrostatic …
Electric-field-assisted anion− π catalysis
M Akamatsu, N Sakai, S Matile - Journal of the American Chemical …, 2017 - ACS Publications
This report focuses on the remote control of anion− π catalysis by electric fields. We have
synthesized and immobilized anion− π catalysts to explore the addition reaction of malonic …
synthesized and immobilized anion− π catalysts to explore the addition reaction of malonic …
Yet another perspective on hole interactions
Hole interactions are known by different names depending on the key atom of the bond
(halogen bond, chalcogen bond, hydrogen bond, etc.), and the geometry of the interaction (σ …
(halogen bond, chalcogen bond, hydrogen bond, etc.), and the geometry of the interaction (σ …
Electric field–assisted anion-π catalysis on carbon nanotubes in electrochemical microfluidic devices
The vision to control the charges migrating during reactions with external electric fields is
attractive because of the promise of general catalysis, emergent properties, and …
attractive because of the promise of general catalysis, emergent properties, and …
Fullerene-based switching molecular diodes controlled by oriented external electric fields
Employing multiscale in silico modeling, we propose switching molecular diodes on the
basis of endohedral fullerenes (fullerene switching diode, FSD), encapsulated with polar …
basis of endohedral fullerenes (fullerene switching diode, FSD), encapsulated with polar …
Oriented external electric fields: Tweezers and catalysts for reactivity in halogen-bond complexes
This theoretical study establishes ways of controlling and enabling an uncommon chemical
reaction, the displacement reaction, B:---(X—Y)→(B—X)++: Y–, which is nascent from a B …
reaction, the displacement reaction, B:---(X—Y)→(B—X)++: Y–, which is nascent from a B …
Catalysis of methyl transfer reactions by oriented external electric fields: are gold–thiolate linkers innocent?
Oriented external electric fields (OEEFs) are potent effectors of chemical change and control.
We show that the Menshutkin reaction, between substituted pyridines and methyl iodide, can …
We show that the Menshutkin reaction, between substituted pyridines and methyl iodide, can …
Exploring nano-optical molecular switch systems for potential electronic devices: understanding electric and electronic properties through DFT-QTAIM assembly
The design and synthesis of molecular nanoswitches using organic molecules represent a
crucial research field within molecular electronics. To understand the switching …
crucial research field within molecular electronics. To understand the switching …