Solvent effect on simple and high yield synthesis of polydichlorophosphazene precursor Cl3PNSiMe3

2021 ◽  
Author(s):  
Elif Büşra Çelebi ◽  
Ferda Hacıvelioğlu
Keyword(s):  
Solvent Effect ◽  
Room Temperature ◽  
Solvent Polarity ◽  
High Yield ◽  
Effect Of Solvent ◽  
Nonpolar Solvents

The effect of solvent polarity on the reaction of PCl5 with (Me3Si)2NH has been investigated and it is found that nonpolar solvents promote the formation of Cl3PNSiMe3, whereas the more polar chloroform gives unusual phosphazenes at room temperature.

scholarly journals A study of the solvent effect on the low temperature spectra of benzoanthracene molecules

2019 ◽  
Vol 12 (24) ◽  
pp. 1-9
Author(s):  
Asmaa N. Ahmed
Keyword(s):  
Solvent Effect ◽  
Fluorescence Spectra ◽  
Room Temperature ◽  
Emission Cross Section ◽  
Solvent Polarity ◽  
Liquid Nitrogen Temperature ◽  
Absorption And Fluorescence Spectra ◽  
Nonpolar Solvents ◽  
Temperature Spectra ◽  
Peak Emission

been taken at room temperature down to liquid nitrogen temperature (77K). Polar and nonpolar solvents have been used to study the solvent effect on the absorption and fluorescence spectra of solute molecules. Some of the spectroscopic parameters have been determined as functions of solvent polarity and temperature. The results indicate that the band width FWHM increases with increasing the solvent polarity and temperature, while the peak emission cross section decreases with increasing of solvent polarity and decreases with increasing the temperatures. Clear vibrational structure spectra of benzoanthracene molecules have been observed in Nonane and Hexane solvents at 77K.

Conformation and electronic structure of aromatic chloroformates

1987 ◽  
Vol 52 (4) ◽  
pp. 970-979 ◽  
Author(s):  
Otto Exner ◽  
Pavel Fiedler
Keyword(s):  
Electronic Structure ◽  
Oxygen Atom ◽  
Strong Interaction ◽  
Electron Distribution ◽  
Room Temperature ◽  
Functional Group ◽  
Dipole Moments ◽  
Carbonyl Oxygen ◽  
Nonpolar Solvents ◽  
Single Method

Aromatic chloroformates Ib-Ie were shown to exist in the ap conformation, in agreement with aliphatic chloroformates, i.e. the alkyl group is situated cis to the carbonyl oxygen atom as it is the case in all esters. While 4-nitrophenyl chloroformate (Ie) is in this conformation in crystal, in solution at most several tenths of percent of the sp conformation may be populated at room temperature and in nonpolar solvents only. A new analysis of dipole moments explained the previous puzzling results and demonstrated the impossibility to determine the conformation by this single method, in consequence of the strong interaction of adjoining bonds. If, however, the ap conformation is once proven, the dipole moments reveal some features of the electron distribution on the functional group, characterized by the enhanced polarity of the C-Cl bond and reduced polarity of the C=O bond. This is in agreement with the observed bond lengths and angles.

The Solvent Effect on H2O2 Generation at Room Temperature Ionic Liquid|Water Interface

ChemPhysChem ◽  
2021 ◽  
Author(s):  
Marcin Wojciech Opallo ◽  
Justyna Kalisz ◽  
Wojciech Nogala ◽  
Wojciech Adamiak ◽  
Mateusz Gocyla ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Solvent Effect ◽  
Liquid Water ◽  
Room Temperature ◽  
Room Temperature Ionic Liquid ◽  
Water Interface ◽  
H2o2 Generation

scholarly journals ZnO/RGO Heterojunction Based near Room Temperature Alcohol SENSOR with Improved Efficiency

2021 ◽  
Vol 6 (1) ◽  
pp. 25
Author(s):  
Sanghamitra Ghosal ◽  
Partha Bhattacharyya
Keyword(s):  
Active Sites ◽  
Room Temperature ◽  
Surface Engineering ◽  
Gas Sensing ◽  
Energy Band Diagram ◽  
Future Generation ◽  
High Yield ◽  
Synthesis Process ◽  
Ethanol Sensor ◽  
Vapor Sensing

The systematic optimization of surface engineering (dimensionality) indeed plays a crucial role in achieving efficient vapor-sensing performance. Among various semiconducting metal oxides, owing to some of its unique features and advantages, ZnO has attracted researchers on a global scale due to its application in various fields, including chemical sensors. The concomitant optimization of the surface attributes (varying different dimensions) of ZnO have become a sensation for the entire research community. Moreover, the small thickness and extremely large surface of exfoliated 2D nanosheets render the gas sensing material an ideal candidate for achieving strong coupling with different gas molecules. However, temperature is a crucial factor in the field of chemical sensing. Recently, graphene-based gas sensors have attracted attention due to their variety of structures, unique sensing performances and room temperature working conditions. In this work, a highly sensitive and fast responsive low temperature (60 °C)-based ethanol sensor, based on RGO/2D ZnO nanosheets hybrid structure, is reported. After detailed characterizations, the vapor sensing potentiality of this sensor was tested for the detection of ethanol. The ethanol sensor offered the response magnitude of 89% (100 ppm concentration) with response and recovery time of 12 s/29 s, respectively. Due to excessively high number of active sites for VOC interaction, with high yield synthesis process and appreciably high carrier mobility, this has paved the way for developing future generation, miniaturized and flexible (wearable) vapor sensor devices, meeting the multidimensional requirements for traditional and upcoming (health/medical sector) applications. The underlying mechanistic framework for vapor sensing, using this hybrid junction, is explained with the Energy Band Diagram.

scholarly journals Correction: Photophysical properties of the intramolecular excited charge-transfer states of π-expanded styryl phenanthrimidazoles – effect of solvent polarity

RSC Advances ◽  
2016 ◽  
Vol 6 (87) ◽  
pp. 83709-83709
Author(s):  
V. Thanikachalam ◽  
A. Arunpandiyan ◽  
J. Jayabharathi ◽  
P. Ramanathan
Keyword(s):  
Charge Transfer ◽  
Photophysical Properties ◽  
Solvent Polarity ◽  
Effect Of Solvent

Correction for ‘Photophysical properties of the intramolecular excited charge-transfer states of π-expanded styryl phenanthrimidazoles – effect of solvent polarity’ by V. Thanikachalam et al., RSC Adv., 2014, 4, 6790–6806.

scholarly journals Quantum Chemistry of Cocaine and its Isomers I: Energetics, Reactivity and Solvation

2021 ◽  
Vol 75 ◽  
Author(s):  
Safa Ben Amara ◽  
Thorsten Koslowski ◽  
Ali Zaidi
Keyword(s):  
Dipole Moment ◽  
Solvent Effect ◽  
Density Functional ◽  
Chemical Reactivity ◽  
Theoretical Perspective ◽  
Solvent Polarity ◽  
Stable Conformation ◽  
Functional Theory ◽  
Implicit Solvents ◽  
The Rich

ABSTRACT We investigate the rich stereochemistry of cocaine and its diastereoisomers from a theoretical perspective using density functional theory. The relative stability of the eight considered isomers is discussed, and a comparison of the corresponding internal coordinates is given. Our results reveal that the S-pseudococaine isomer is the most stable conformation, whereas the natural occurring isomer (R-cocaine) lies higher in energy. The different isomers' chemical reactivity is discussed based on the calculation of the hardness, softness, electrophilicity and dipole moment. It was found that the dipole moment varies over a broad range from 0.65 to 4.60 D, whereas the other properties are slightly modified. The solvent effect on the energy stability of the cocaine isomers was studied by considering chloroform, dimethyl-sulfoxide (DMSO) and water as implicit solvents. Our calculations show that the different isomers' energy order and their energy gaps are slightly modified due to solvent effects. However, in all cases, the S-pseudococaine remains the most stable isomer. However, the dipole moment and the chemical reactivity of the cocaine isomers increase with the solvent polarity. Keywords: Cocaine isomers,DFT, stability, solvent effect, chemical reactivity.

An efficient multicomponent, one-pot synthesis of Betti bases catalyzed by cerium (IV) ammonium nitrate (CAN) at ambient temperature

2016 ◽  
Vol 5 (4) ◽  
Author(s):  
Ramadan Ahmed Mekheimer ◽  
Abdullah Mohamed Asiri ◽  
Afaf Mohamed Abdel Hameed ◽  
Reham R. Awed ◽  
Kamal Usef Sadek
Keyword(s):  
Ambient Temperature ◽  
Environmental Pollution ◽  
Ammonium Nitrate ◽  
Room Temperature ◽  
Catalytic Amount ◽  
High Yield ◽  
Reaction Conditions ◽  
One Pot ◽  
Work Up ◽  
Cerium Iv Ammonium Nitrate

AbstractStarting from readily available 2-naphthol, aldehydes, aryl and alkylamines, a variety of Betti bases were efficiently synthesized utilizing a catalytic amount of cerium (IV) ammonium nitrate (CAN) at room temperature. This protocol has advantages of high yield, mild reaction conditions, no environmental pollution, diversity of reactants and simple work up procedure.

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