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RISSensing Activity of a New Generation of Thiourea-based Receptors; A Theoretical Study on the Anion Sensing
A theoretical density functional theory (DFT) study was done on a series of the neutral N-phenylthiourea substituents (p-OC2H5, p-CH3, m-CH3, H, p-Cl, p-Br, m-Cl, and p-NO2) as the sensor of acetate and fluoride anions. ...
Direct C2-arylation of Quinoline N-Oxides by Boronic Esters; A Molecular Approach on the Efficient Metal-free Method in C-C Cross-coupling Reactions
Kinetic and thermodynamic aspects of the cross-coupling reaction of quinoline N-oxides by various boronic esters in the gas and solvent phases were investigated, theoretically. Two types of boronic esters were considered ...
Synthesis of Novel Bis-Benzimidazolyl Podands: A new Chemosensor for Cu2+
Some new compounds based on bis-benzimidazole moieties have been synthesized and characterized by IR and NMR spectroscopies. The ability of 3a in transition metal cation sensing such as Co2+, Ni2+, Zn2+, Mn2+, Fe2+ and ...
SYNTHESIS OF SOME SUBSTITUTED 9-ARYL XANTHENE DERIVATIVES
Xanthene derivatives are very important heterocyclic compounds and have been widely used as
dyes fluorescent materials for visualization of biomolecules and laser technologies due to their
useful spectroscopic ...
Theoretical Evaluation Of The Novel Frustrated Lewis Pairs Efficiency In Cis-Hydrogenation Reaction Of Dimethyl Acetylene
Frustrated Lewis pairs (FLPs) are the combinations of both Lewis acids and bases motifs, where owing to steric hindrance, prevent the strong adduct formation. Accordingly, the ability of the FLPs in small molecules activation ...
Understanding the thermodynamic and kinetic performances of the substituted phosphorus ylides as a new class of compounds in carbon dioxide activation
The investigation of thermodynamic and kinetic behavior of the carbon dioxide activation in the presence of the phosphorus ylides (P-ylides) is the main purpose of this study. Different substituents on the carbon atom of ...
Evaluation and understanding the performances of various derivatives of carbonyl-stabilized phosphonium ylides in CO2 transformation to cyclic carbonates
The kinetic and mechanism evaluations of the formation of cyclic carbonates by carbonyl-stabilized
phosphonium ylides as an efficient and new class of organocatalysts are the main purposes of this
research. Recently, ...
Design and Synthesis of A Novel Bis - Benzimidazolyl Podand As a Responsive Chemosensors for Anions
A novel podand based anion receptor bearing benzimidazole motifs as recognition sites was designed and synthesized by reaction of 1,7-bis(2'-methylbenzoate)-1,4,7-trioxaheptane and phenylenediamine. The binding ...
Borohydride salts as high efficiency reducing reagents for carbon dioxide transformation to methanol: Theoretical approach
In this work, the mechanism of CO2 reduction to methanol using the borohydride salts of M [RBH3] (M = Li+, Na+ and R = Ph, CH3, CN and H) as the reduction reagents, has been investigated, theoretically. In spite of expensive ...
حسگرشیمیایی رنگ سنجی بسیار گزینش پذیر برای آنیون فلوئورید از طریق برهمکنش پیوند هیدروژنی: مطالعه تجربی و نظری
در این مقاله یک حسگر شیمیایی آنیونی شامل دو جایگاه اتصال ) N-H و O-H ( از واکنش 5،1 دی آمینو مالونیتریل و 1 هیدروکسی بنزآلدهید سنتز شده است. سپس خصوصیات اتصال بین گونه آنیونی و حسگر شیمیایی سنتز شده توسط طیف سنجی UV-Vis ...