Halogen bond

In this research, palladium-catalyzed C-H bond halogenation of benzoxazinone derivatives has been achieved. This approach shows high regioselectivity and wide substrate scope, the products are obtained in moderate to good yields.

10p viohoyo 25-04-2024 2 2   Download

Ebook "Halogen bonding I: Impact on materials chemistry and life sciences" opens with a historical perspective and a basic understanding of the halogen bond and closes showing the impact that this interaction is having in various fields such as crystal engineering, supramolecular synthesis, and medicinal chemistry.

286p tudohanhtau1006 29-03-2024 4 1   Download

Ebook "Halogen bonding II: Impact on materials chemistry and life sciences" presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science.

215p tudohanhtau1006 29-03-2024 1 1   Download

Ebook "Noncovalent forces (Challenges and advances in computational chemistry and physics, Volume 19)" describes the current state of the art in terms of what we now know, and the current questions requiring answers in the future. Topics range from very strong (ionic) to very weak (CH--π) interactions. In the intermediate regime, forces to be considered are H-bonds, particularly CH--O and OH--metal, halogen, chalcogen, pnicogen and tetrel bonds, aromatic stacking, dihydrogen bonds, and those involving radicals.

528p tudohanhtau1006 29-03-2024 7 1   Download

Ebook "8th Congress on Electronic structure: Principles and applications (ESPA 2012) - A conference selection from theoretical chemistry accounts" collects research findings presented at the 8th Edition of the Electronic Structure: Principles and Applications (ESPA-2012) International Conference, held in Barcelona, Spain on June 26-29, 2012. The contributions cover research work on methods and fundamentals of theoretical chemistry, chemical reactivity, bimolecular modeling, and materials science.

228p nhanphanguyet 28-01-2024 6 2   Download

(BQ) Ebook part 1 presents the following content: Chapter 1: Self-Assembling Cyclic Peptide-Based Nanomaterials; Chapter 2: Designer Nanomaterials for the Production of Energy and High Value-Added Chemicals; Chapter 3: Supramolecular Receptors for Fullerenes; Chapter 4: Click Chemistry: A Quote for Function; Chapter 5: Supramolecular Interactions and Smart Materials: C–X…X′–M Halogen Bonds and Gas Sorption in Molecular Solids; Chapter 6: Application of Advanced Solid-State NMR Techniques to the Characterization of Nanomaterials: A Focus on Interfaces and Structure; Chapter 7: New Tools for ...

248p runordie7 30-08-2022 9 2   Download

Synthesis of the ionic liquid 1-allyl-3-(4-methyl-7,8-dihydroxy-2H-chromen-2-one) benzimidazolium chloride followed by the conversion of ammonium salts on the imidazole ring hooked to the coumarin group was modified by postmodification of the silica matrix where 3-chloropropyltrimethoxysilane was used as not only a surface modification agent, but also as an ATRP halogen source. The synergetic effect of charged ammonium groups as well as hydroxyl groups present on the coumarin was investigated in terms of ATRP polymerization.

9p langthannam 29-12-2021 6 0   Download

Comparison of 54 M–Si–M′–X species is carried out using quantum mechanical ab initio and DFT computations at B3LYP/6-311++G**, QCISD(T)/6-311++G**, and CCSD(T)/6-311++G** levels of theory (M = Li, Na, K; M′ = Be, Mg, Ca, and X = F, Cl, Br). All triplet species with M = K appear more linear than their corresponding ones with Li and Na. The electronegativity reactivity descriptor for each halogen (X = F, Cl, Br) is used as a tool to evaluate the interrelated properties of these silylenes.

75p tudichquannguyet 29-11-2021 7 0   Download

A 1:1 cocrystal of TNT and 1-amino-4-bromonaphthalene was prepared via solvent evaporation. The structure of the cocrystal was determined via single-crystal and powder X-ray diffraction. Crystal structure determination studies indicated that the main mechanism of cocrystallization originates from the intermolecular hydrogen bonding (amino– nitro), halogen bonding, and π − π stacking. Investigation of intermolecular interactions by Hirshfeld surface and fingerprint plot analysis revealed that the structures were stabilized by H…H, O…H, C…C (π−π) and Br…O interactions.

13p tudichquannguyet 29-11-2021 7 1   Download

The intermolecular interactions between halocyclopropenone derivatives (HC3OX; X = I, Br, Cl, and F) and hypohalous acids (HOY; Y = I, Br, Cl, and F) were studied via the MP2 method utilizing the aug-cc-pVTZ and aug-cc-pVTZ(-PP) basis sets. The three types of complexes were hydrogen bonds, halogen bonds, and complexes containing both hydrogen and halogen bonds. The results obtained indicated that interactions in the Type 1 complexes were stronger than those in Types 2 and 3. The H–O bonds revealed red shifts with complex formation in Types 1 and 2.

14p tudichquannguyet 29-11-2021 12 1   Download

Chapter 3 provides knowledge of radical halogenation. The main contents of this chapter include all of the following: Radical halogenation and bond strength, bond dissociation energy tables, C-H bond strengths, structure of alkyl radicals, hyperconjugation, more neighboring bonds: more hyperconjugation, radical halogenation: methane and chlorine,...

23p larachdumlanat122 26-11-2020 22 1   Download

A series of azinesulfonamide derivatives of long-chain arylpiperazines with variable-length alkylene spacers between sulfonamide and 4-arylpiperazine moiety is designed, synthesized, and biologically evaluated.

12p vijiraiya2711 27-05-2020 14 1   Download

(bq) part 2 book "arrow pushing in organic chemistry" has contents: elimination reactions, addition reactions (addition of halogens to double bonds, additions to carbonyls, summary), moving forward (functional group manipulations, name reactions, reagents, final comments)

201p bautroibinhyen20 06-03-2017 38 7   Download

Chapter 1 introduction and review the organic chemistry. The goal is for you to learn: Review concepts from general chemistry that are essen-tial for success in organic chemistry, such as the electronic structure of the atom, Lewis structures and the octet rule, types of bonding, electronegativity, and formal charges; predict patterns of covalent and ionic bonding involving C, H, O, N, and the halogens. Identify resonancestabilized structures and compare the relative importance of their resonance forms.

43p tangtuy02 11-03-2016 73 6   Download

Among halogens, fluorine is quite characteristic and specific since it has the largest electronegativity (4.0 vs 3.5 for oxygen) and the sterically second smallest van der Waals' radius (1.35 ~ vs. 1.20/~ for hydrogen). A carbon-fluorine bond is also stronger than a carbon-hydrogen bond (485 kJ/mol vs 414 kJ/mol). Therefore, fluoro organic compounds have unique chemical and physical properties.

243p maket1311 16-10-2012 50 5   Download