From Electride-like Super Alkali Earth Atom to Superalkalide or Superalkali Electride: M(HF)3M (M = Na or Li) as Field-Induced Excellent Inorganic NLO Molecular Switches

2021 ◽  
Author(s):  
Yin-Feng Wang ◽  
Jia-Jun Wang ◽  
Jia Li ◽  
Xue-Xia Liu ◽  
Zhijun Wang ◽  
...  
Keyword(s):  
Molecular Electronics ◽  
Molecular Switches ◽  
Molecular Switch ◽  
Excess Electron ◽  
Alkali Earth ◽  
Electron Compounds

Exploring novel molecular switch is an ongoing hot issue in molecular electronics. Alkalide and electride are two typical representatives of excess electron compounds. It was found that M(HF)3M (M =...

A theoretical study on novel alkaline earth-based excess electron compounds: unique alkalides with considerable nonlinear optical responses

2015 ◽  
Vol 17 (6) ◽  
pp. 4524-4532 ◽  
Author(s):  
Wei-Ming Sun ◽  
Di Wu ◽  
Ying Li ◽  
Jia-Yuan Liu ◽  
Hui-Min He ◽  
...  
Keyword(s):  
Alkali Metal ◽  
Nonlinear Optical ◽  
Alkaline Earth ◽  
Theoretical Study ◽  
Excess Electron ◽  
Optical Responses ◽  
Electron Compounds ◽  
Metal Anions

A series of novel excess electron compounds M(NH3)6NaCl and M(NH3)6Na2 (M = Mg and Ca) were designed, in which the lowest-energy M(NH3)6Na2 compounds are the first alkalides containing double alkali metal anions.

Designing a new class of excess electron compounds with unique electronic structures and extremely large non-linear optical responses

2020 ◽  
Vol 44 (16) ◽  
pp. 6411-6419
Author(s):  
Xiang-Hui Li ◽  
Li Zhang ◽  
Xiao-Ling Zhang ◽  
Bi-Lian Ni ◽  
Chun-Yan Li ◽  
...  
Keyword(s):  
Electronic Structures ◽  
Excess Electron ◽  
New Class ◽  
Optical Responses ◽  
Non Linear ◽  
Linear Optical ◽  
Electron Compounds

New Ca+-1-M′− (M′ = Li, Na, and K) compounds with typical alkalide features and electride-like characteristics have been obtained.

scholarly journals Template-Free Synthesis of a Phenanthroline-Containing [2]Rotaxane: A Reversible pH-Controllable Molecular Switch

Symmetry ◽  
2019 ◽  
Vol 11 (9) ◽  
pp. 1137
Author(s):  
Muraoka ◽  
Aoyama ◽  
Fujihara ◽  
Yamane ◽  
Hisaki ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Molecular Switches ◽  
Molecular Switch ◽  
Molecular Sensors ◽  
Template Free

The synthesis of symmetric and asymmetric rotaxanes consisting of neutral axle and ring components without ionic templates is necessary for applications in molecular sensors and molecular switches. A phenanthroline-containing symmetric [2]rotaxane was newly synthesized by inducing hydrogen bonding and π-interaction using a template-free threading-followed-by-stoppering method. The obtained rotaxane serves as a reversible pH-controllable molecular switch.

Organic-based molecular switches for molecular electronics

Nanoscale ◽  
2011 ◽  
Vol 3 (10) ◽  
pp. 4003 ◽  
Author(s):  
Noelia Fuentes ◽  
Ana Martín-Lasanta ◽  
Luis Álvarez de Cienfuegos ◽  
Maria Ribagorda ◽  
Andres Parra ◽  
...  
Keyword(s):  
Molecular Electronics ◽  
Molecular Switches

1999 R.U. Lemieux Award Lecture Adventures with azo-, azoxy-, and hydrazoarenes: from the Wallach to the benzidine rearrangement. Molecular electronics

2000 ◽  
Vol 78 (10) ◽  
pp. 1251-1271 ◽  
Author(s):  
Erwin Buncel
Keyword(s):  
Molecular Electronics ◽  
Rate Constant ◽  
Reaction Pathway ◽  
Solvent Polarity ◽  
Molecular Switch ◽  
Reaction Pathways ◽  
Optical Data ◽  
Constant Ratio ◽  
Rate Constant Ratio ◽  
Acid Catalyzed

The author's studies with aromatic azo-, azoxy-, and hydrazo-dye molecules, comprising kinetic and equilibrium investigations, as well as synthesis of novel molecules having photogenic properties, are described under the following highlights: A. Wallach rearrangement and cognate studies with azoxyarenes — (1) Elucidation of the mechanism of the Wallach rearrangement of azoxybenzene through the kinetic observation of a two-proton process which, together with a pKa study, was interpreted on the basis of formation of a deoxygenated, dicationic, symmetrical species as a key, short-lived reaction intermediate. (2) The proposal of a general acid-catalyzed pathway in concentrated sulfuric acid (catalysis by H2SO4 and H3SO+4. (3) Elucidation of the consecutive sulfonations of reaction products of azoxybenzene in the 100% H2SO4 region, and the diprotonation equilibria for p-hydroxyazobenzene, thus shedding light on past reaction pathway and product studies. (4) The observation of a novel reaction pathway for 2,4,6,2',4',6'-hexamethy lazoxybenzene. (5) The observation of a dichotomy of reaction pathways for α- and β-2-phenylazoxynaphthalenes: reaction via the dicationic intermediate and via quinoid intermediate species; comprising two isomeric compounds reacting by different pathways to give the same product. (6) Identification and structure proof of α- and β-isomers observed for the first time in the peracid oxidation of phenylazopyridine. (7) Observation of a rate constant ratio of 22 000 in the rearrangement of these α- and β-isomers, and the proposal of differential barriers for transition states leading to a tricationic intermediate. B. Benzidine rearrangement and cognate studies — (8) Observation of the acid-catalyzed hydroxylation of phenylazopyridine to p-hydroxyphenylazopyridine and the proposal of an SNAr mechanism with formation of an intermediate hydrazo species in the reaction. (9) First study of benzidine type rearrangement-disproportionation of phenylhydrazopyridine in acid media. (10) Proposal of a A [Formula: see text] B [Formula: see text] C [Formula: see text] D type reaction profile for the consecutive hydroxylation[Formula: see text]disproportionation processes of phenylazopyridine in aq H2SO4. (11) Proposal of 10-π and 14π-electron electrocyclic processes in the benzidine type rearrangement-disproportionation of phenylhydrazopyridine. (12) Identification and structural elucidation of a dimer formed from phenylazopyridine as a minor product and proposal of a reaction mechanism. C. Facile acid-catalyzed demethylation via SNAr/A-SE2 mechanisms and studies of tautomerism — (13) Observation of an abnormally facile acid-catalyzed cleavage (demethylation) of 4-methoxyphenylazopyridine via an SNAr mechanism. (14) Observation of two reaction pathways, SNAr and A-SE2, for the consecutive demethylations of 3,4-dimethoxyphenylazopyridine, with rate constant ratio of 7 000:1 favoring the SNAr process. (15) Quantitation of the tautomeric and protonation equilibria of 4-hydroxyphenylazopyridine, produced in (13). D. A new solvent polarity scale, molecular switches, and molecular electronics — (16) Establishment of a π*azo solvent polarity scale based on solvatochromism of a series of azomerocyanine molecules ("Buncel's dye"). (17) Some glimpses are presented of current forays into molecular electronics, as emanating from the above studies: (a) spiropyran (SP) <—> merocyanine (MC) thermo- and photochromic "molecular switch" systems; (b) synthesis and characterization of azo-functionalized star-burst dendrimers with photoswitchable properties and potential applications in optical data storage systems, holographic gratings, and drug delivery systems as host molecules.Key words: Wallach rearrangement, benzidine disproportionation, azoarenes, azoxyarenes, dendrimers, hydrazoarenes, dendrimers, solvatochromism, photochromism, thermochromism, spiropyran-merocyanine molecular switch.

scholarly journals Analog Signalling with ‘Digital’ Molecular Switches

2018 ◽  
Author(s):  
Stephen E Clarke
Keyword(s):  
Synaptic Plasticity ◽  
Experimental Evidence ◽  
Stable State ◽  
Molecular Switches ◽  
Molecular Switch ◽  
Analog Signal ◽  
Input Frequency ◽  
Stable States ◽  
Short Timescale ◽  
Long Timescales

AbstractMolecular switches, such as the protein kinase CaMKII, play a fundamental role in cell signalling by decoding inputs into either high or low states of activity; because the high activation state can be turned on and persist after the input ceases, these switches have earned a reputation as ‘digital’. Although this on/off, binary perspective has been valuable for understanding long timescale synaptic plasticity, accumulating experimental evidence suggests that the CaMKII switch can also control plasticity on short timescales. To investigate this idea further, a non-autonomous, nonlinear ordinary differential equation, representative of a general bistable molecular switch, is analyzed. The results suggest that switch activity in regions surrounding either the high- or low-stable states of activation could act as a reliable analog signal, whose short timescale fluctuations relative to equilibrium track instantaneous input frequency. The model makes intriguing predictions and is validated against previous work demonstrating its suitability as a minimal representation of switch dynamics; in combination with existing experimental evidence, the theory suggests a multiplexed encoding of instantaneous frequency information over short timescales, with integration of total activity over long timescales.Author SummaryBistable molecular switches can decode cellular inputs into distinct high- or low-states of persistent enzymatic activity. Although this on-off, ‘digital’ perspective is valuable for long timescales, I suggest that short timescale fluctuations of switch activity around either stable state acts as an analog signal that reliably encodes instantaneous input frequency. A minimal model and theory make predictions about the molecular switch CaMKII, synaptic plasticity and burst detection.

Solvatochromic, thermochromic and pH-sensory DCDHF-hydrazone molecular switch: response to alkaline analytes

RSC Advances ◽  
2016 ◽  
Vol 6 (104) ◽  
pp. 102296-102305 ◽  
Author(s):  
Tawfik A. Khattab ◽  
Brylee David B. Tiu ◽  
Sonya Adas ◽  
Scott D. Bunge ◽  
Rigoberto C. Advincula
Keyword(s):  
Molecular Switches ◽  
Molecular Switch ◽  
Stimuli Responsive

Nanostructures fabricated from multi-stimuli responsive DCDHF-hydrazone molecular switches to function as colorimetric reversible gas probes.

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