scholarly journals Functionalization of graphene: does the organic chemistry matter?

2018 ◽  
Vol 14 ◽  
pp. 2018-2026 ◽  
Author(s):  
Artur Kasprzak ◽  
Agnieszka Zuchowska ◽  
Magdalena Poplawska
Keyword(s):  
Organic Chemistry ◽  
Reaction Mechanisms ◽  
Recent Literature ◽  
Critical Assessment ◽  
Diazonium Salts ◽  
Direct Link ◽  
Covalent Functionalization ◽  
Basic Principles ◽  
Synthetic Approaches ◽  
Graphene Family Materials

Reactions applying amidation- or esterification-type processes and diazonium salts chemistry constitute the most commonly applied synthetic approaches for the modification of graphene-family materials. This work presents a critical assessment of the amidation and esterification methodologies reported in the recent literature, as well as a discussion of the reactions that apply diazonium salts. Common misunderstandings from the reported covalent functionalization methods are discussed, and a direct link between the reaction mechanisms and the basic principles of organic chemistry is taken into special consideration.

Aryl-substituted Triarsiranes: Synthesis and Reactivity

2020 ◽  
Author(s):  
André Schumann ◽  
Jonas Bresien ◽  
Malte Fischer ◽  
Christian Hering-Junghans
Keyword(s):  
Organic Chemistry ◽  
Electronic Structure ◽  
Heterocyclic Carbenes ◽  
Synthetic Approaches ◽  
Inorganic And Organic

Cyclotriarsanes are rare and limited synthetic approaches have hampered reactivity studies on these systems. Described in here is a scalable synthetic protocol towards (AsAr)<sub>3</sub> (Ar = Dip, 2,6-<sup>i</sup>Pr<sub>2</sub>-C<sub>6</sub>H<sub>3</sub>; Tip, 2,4,6-<sup>i</sup>Pr<sub>3</sub>-C<sub>6</sub>H<sub>2</sub>), which allowed to study their reactivity towards [Cp<sub>2</sub>Ti(C<sub>2</sub>(SiMe<sub>3</sub>)<sub>2</sub>], affording titanocene diarsene complexes and towards N-heterocyclic carbenes (NHCs) to give straightforward access to a variety of NHC-arsinidene adducts. The electronic structure of the titanium diarsene complxes has been studied and they are best described as Ti(IV) species with a doubly reduced As<sub>2</sub>Ar<sub>2</sub> ligand. These findings will make (AsAr)<sub>3</sub> valuable precursors in the synthetic inorganic and organic chemistry.

scholarly journals The Principle of Conservation of Structural Aspect: Facilitating Visual Communication and Learning in Organic Chemistry Instruction

2019 ◽  
Author(s):  
john andraos
Keyword(s):  
Organic Chemistry ◽  
Chemical Reactions ◽  
Reaction Mechanisms ◽  
Visual Communication ◽  
Structural Aspect ◽  
Chemical Bonds ◽  
Journal Articles ◽  
Chemistry Instruction ◽  
Individual Reaction ◽  
Training Exercises

<p>An effective pedagogical method is presented for the visual communication of chemical reactions learned in organic chemistry undergraduate courses. The basis for the method is the preservation of the visual aspect of reactant and product structures so that the tracking of cleaved and formed chemical bonds is made self-evident. This consequently leads to improved clarity of presentation and a better understanding and grasp of proposed reaction mechanisms to explain product outcomes. The method is demonstrated for a variety of individual reaction types and synthesis plans. Various visual training exercises are also presented using ChemDraw Ultra 7.0 software and literature table of contents (TOC) graphics appearing in journal articles.</p><br>

scholarly journals Covalent Functionalization of Nickel Phosphide Nanocrystals with Aryl-Diazonium Salts

2021 ◽  
Author(s):  
Ian Murphy ◽  
Peter Rice ◽  
Madison Monahan ◽  
Leo Zasada ◽  
Elisa Miller ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Photoelectron Spectroscopy ◽  
Density Functional ◽  
Binding Energies ◽  
Diazonium Salts ◽  
Surface Functional Group ◽  
Covalent Functionalization ◽  
Substitution Pattern ◽  
Core Electron ◽  
Functional Theory

Covalent functionalization of Ni2P nanocrystals was demonstrated using aryl-diazonium salts. Spontaneous adsorption of aryl functional groups was observed, with surface coverages ranging from 20-96% depending on the native reactivity of the salt as determined by the aryl substitution pattern. Increased coverage was possible for low reactivity species using a sacrificial reductant. Functionalization was confirmed using thermogravimetric analysis, FTIR and X-ray photoelectron spectroscopy. The structure and energetics of this nanocrystal electrocatalyst system, as a function of ligand coverage, was explored with density functional theory calculations. The Hammett parameter of the surface functional group was found to linearly correlate with the change in Ni and P core-electron binding energies and the nanocrystal’s experimentally and computationally determined work-function. The electrocatalytic activity and stability of the functionalized nanocrystals for hydrogen evolution were also improved when compared to the unfunctionalized material, but a simple trend based on electrostatics was not evident. We used density functional theory to understand this discrepancy and found that H adsorption energies on the covalently functionalized Ni2P also do not follow the electrostatic trend and are predictive descriptors of the experimental results.

On the Mechanism of the Stevens Rearrangement

Synthesis ◽  
2019 ◽  
Vol 52 (01) ◽  
pp. 21-26 ◽  
Author(s):  
Daler Baidilov
Keyword(s):  
Organic Chemistry ◽  
Reaction Mechanism ◽  
Reaction Mechanisms ◽  
Computational Results ◽  
Stevens Rearrangement

The reaction mechanism for the Stevens rearrangement is one of the most controversial reaction mechanisms in organic chemistry. This account will address that controversy reviewing the experimental as well as some computational results.1 Introduction2 Evolution of the Mechanistic Knowledge2.1 Stevens (1928)2.2 Stevens (1930)2.3 Stevens (1932)2.4 Campbell (1946)2.5 Hauser (1951)2.6 Kline (1952)2.7 Lepley (1969)2.8 Baldwin (1970)3 Computational Investigations4 [2,3]-Stevens Rearrangement?5 Conclusion

scholarly journals Engaging Health Student in Learning Organic Chemistry Reaction Mechanisms Using Short and Snappy Lightboard Videos

2020 ◽  
Vol 97 (10) ◽  
pp. 3867-3871
Author(s):  
Stephanie S. Schweiker ◽  
Ben K. Griggs ◽  
Stephan M. Levonis
Keyword(s):  
Organic Chemistry ◽  
Reaction Mechanisms

Reactivity and selectivity under microwaves in organic chemistry. Relation with medium effects and reaction mechanisms

2001 ◽  
Vol 73 (1) ◽  
pp. 161-166 ◽  
Author(s):  
André Loupy ◽  
Laurence Perreux ◽  
Marion Liagre ◽  
Karine Burle ◽  
Michel Moneuse
Keyword(s):  
Organic Chemistry ◽  
Reaction Mechanisms ◽  
Reaction Medium ◽  
Solvent Free ◽  
Microwave Activation ◽  
Medium Effects ◽  
Specific Effects ◽  
Solvent Free Conditions

Typical applications of solvent-free conditions and microwave activation are described. Non-purely thermal specific effects are evidenced and discussed in terms of reaction medium and mechanisms, taking into account the variations in polarity of the systems.

Organic chemistry students’ challenges with coherence formation between reactions and reaction coordinate diagrams

2018 ◽  
Vol 19 (3) ◽  
pp. 732-745 ◽  
Author(s):  
Maia Popova ◽  
Stacey Lowery Bretz
Keyword(s):  
Organic Chemistry ◽  
Reaction Mechanisms ◽  
Reaction Coordinate ◽  
Structured Interviews ◽  
Chemistry Students ◽  
Student Difficulties ◽  
Need Support ◽  
Elimination Reactions

The purpose of this study was to elucidate and describe students’ thinking when making connections between substitution and elimination reactions and their corresponding reaction coordinate diagrams. Thirty-six students enrolled in organic chemistry II participated in individual, semi-structured interviews. Three major themes were identified that characterize students’ difficulties with integrating the information from the reactions and the reaction coordinate diagrams: incorrect ideas about the meanings of the reaction coordinate diagrams’ features, errors when examining reaction mechanisms, and an inability to assess the relative energies of reaction species. These findings suggest that students need support for coherence formation between reactions and reaction coordinate diagrams. Implications for teaching to address these student difficulties are suggested.

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