Cargando…

Theoretical Study of the Reaction Mechanism of Phenol–Epoxy Ring-Opening Reaction Using a Latent Hardening Accelerator and a Reactivity Evaluation by Substituents

The mechanism of the phenol–epoxide ring-opening reaction using tetraphenylphosphonium-tetraphenylborate (TPP-K) was investigated using the density functional theory (DFT) method. The reaction was initiated by breaking the P-B bond of TPP-K. The generated tetraphenylborate (TetraPB(−)) reacted with...

Descripción completa

Detalles Bibliográficos
Autores principales:	Mitani, Ryusuke, Yamamoto, Hidetoshi, Sumimoto, Michinori
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9861531/ https://www.ncbi.nlm.nih.gov/pubmed/36677752 http://dx.doi.org/10.3390/molecules28020694

Ejemplares similares

Towards the Development of Synthetic Routes Using Theoretical Calculations: An Application of In Silico Screening to 2,6-Dimethylchroman-4-one
por: Hori, Kenji, et al.
Publicado: (2010)

Theoretical and Experimental Insights of Benzimidazole Catalyzed by the Epoxy–Acrylic Acid Reaction
por: Saif, Muhammad Jawwad, et al.
Publicado: (2022)

Intramolecular Diels–Alder Reactions of Cycloalkenones: Stereoselectivity, Lewis Acid Acceleration, and Halogen Substituent Effects
por: Pham, Hung V., et al.
Publicado: (2014)

Reaction of Hardened Portland Cement Paste With Carbon Dioxide
por: Hunt, Charles M., et al.
Publicado: (1962)

Curing Kinetics of Bioderived Furan-Based Epoxy Resins: Study on the Effect of the Epoxy Monomer/Hardener Ratio
por: Marotta, Angela, et al.
Publicado: (2022)

Reaction mechanism, cure behavior and properties of a multifunctional epoxy resin, TGDDM, with latent curing agent dicyandiamide
por: Wu, Feng, et al.
Publicado: (2018)

Characterization of patients with occupational allergy to two new epoxy hardener compounds
por: Suomela, Sari, et al.
Publicado: (2022)

Effect of Hardener Type on the Photochemical and Antifungal Performance of Epoxy and Oligophosphonate S–IPNs
por: Varganici, Cristian-Dragos, et al.
Publicado: (2022)

Phenol and the Wasserman Reaction
Publicado: (1914)

Theoretical Confirmation of the Quinone Methide Hypothesis for the Condensation Reactions in Phenol-Formaldehyde Resin Synthesis
por: Li, Taohong, et al.
Publicado: (2017)

Effect of Propargylic Substituents on Enantioselectivity and Reactivity in Ruthenium-Catalyzed Propargylic Substitution Reactions: A DFT Study
por: Sakata, Ken, et al.
Publicado: (2022)

Effect of Resin and Blocked/Unblocked Hardener Mixture on the Production of Epoxy Foams with CO(2) Blocked Hardener in Batch Foaming Process
por: Bethke, Christian, et al.
Publicado: (2019)

Theoretical Study on the Origin of Abnormal Regioselectivity in Ring-Opening Reaction of Hexafluoropropylene Oxide
por: Yu, Cui, et al.
Publicado: (2023)

Ring-Expansion Reaction of Oximes with Aluminum Reductants
por: Cho, Hidetsura, et al.
Publicado: (2012)

Substituent effect on inter-ring interaction in paracyclophanes
por: Majerz, Irena, et al.
Publicado: (2019)

Mechanism of the Zn(II)Phthalocyanines’ Photochemical Reactions Depending on the Number of Substituents and Geometry
por: Zucolotto Cocca, Leandro Henrique, et al.
Publicado: (2016)

Carbon Fiber Reinforced Multi-Phase Epoxy Syntactic Foam (CFR-Epoxy-Hardener/HGMS/Aerogel-R-Hollow Epoxy Macrosphere(AR-HEMS))
por: Wu, Xinfeng, et al.
Publicado: (2021)

Divergent reaction pathways in gold-catalyzed cycloisomerization of 1,5-enynes containing a cyclopropane ring: dramatic ortho substituent and temperature effects
por: Chen, Gen-Qiang, et al.
Publicado: (2016)

Catalytic Oxidation of Benzoins by Hydrogen Peroxide on Nanosized HKUST-1: Influence of Substituents on the Reaction Rates and DFT Modeling of the Reaction Path
por: Yurchenko, Darya V., et al.
Publicado: (2023)

Epoxy Vitrimers: The Effect of Transesterification Reactions on the Network Structure
por: Altuna, Facundo Ignacio, et al.
Publicado: (2018)

Limonene-Based Epoxy: Anhydride Thermoset Reaction Study
por: Couture, Guillaume, et al.
Publicado: (2018)

The Modification of a Tetrafunctional Epoxy and Its Curing Reaction
por: Yu, Mingming, et al.
Publicado: (2015)

Substituent Effects on the Photodeprotection Reactions of Selected Ketoprofen Derivatives in Phosphate Buffered Aqueous Solutions
por: Liu, Mingyue, et al.
Publicado: (2016)

Thermodynamic versus kinetic control in substituent redistribution reactions of silylium ions steered by the counteranion
por: Omann, Lukas, et al.
Publicado: (2018)

Effect of substituents and promoters on the Diels–Alder cycloaddition reaction in the biorenewable synthesis of trimellitic acid
por: Khan, Tuhin Suvra, et al.
Publicado: (2020)

The Physicochemical Characterization of New “Green” Epoxy-Resin Hardener Made from PET Waste
por: Sterligov, Grigorii K., et al.
Publicado: (2022)

Vanillin-Based Epoxy Vitrimers: Looking at the Cystamine Hardener from a Different Perspective
por: Guggari, Solène, et al.
Publicado: (2023)

Study on Kinetics of Carbonization Reaction of Hardened Cement Paste Powder Based on Carbonization Degree
por: Zhu, Chenhui, et al.
Publicado: (2023)

Theoretical Investigation of Regiodivergent Addition of Anilines and Phenolates to p-Benzoquinone Ring
por: Da Silva, Haroldo C., et al.
Publicado: (2022)

Mechanism of Base-Catalyzed Resorcinol-Formaldehyde and Phenol-Resorcinol-Formaldehyde Condensation Reactions: A Theoretical Study
por: Li, Taohong, et al.
Publicado: (2017)

Radiation Hardening of LED Luminaires for Accelerator Tunnels
por: Devine, James D., et al.
Publicado: (2016)

Novel Bio-Based Epoxy Thermosets Based on Triglycidyl Phloroglucinol Prepared by Thiol-Epoxy Reaction
por: Guzmán, Dailyn, et al.
Publicado: (2020)

Theoretical studies on cycloaddition reactions
por: Rhyman, Lydia, et al.
Publicado: (2014)

Dynamic Hydroxyl–Yne Reaction with Phenols
por: Santos, Tanausú, et al.
Publicado: (2022)

Regioselective phenylene-fusion reactions of Ni(ii)-porphyrins controlled by an electron-withdrawing meso-substituent
por: Fukui, Norihito, et al.
Publicado: (2016)

Inducing high exo selectivity in Diels–Alder reaction by dimethylborane substituent: a DFT study
por: Taherinia, Davood, et al.
Publicado: (2022)

Computational Investigation of Substituent Effects on the Alcohol + Carbonyl Channel of Peroxy Radical Self- and Cross-Reactions
por: Hasan, Galib, et al.
Publicado: (2023)

Adenine as Epoxy Resin Hardener for Sustainable Composites Production with Recycled Carbon Fibers and Cellulosic Fibers
por: Merighi, Stefano, et al.
Publicado: (2020)

Tailoring Epoxy Resin Foams by Pre-Curing with Neat Amine Hardeners and Its Derived Carbamates
por: Bethke, Christian, et al.
Publicado: (2021)

Novel Biobased Epoxy Thermosets and Coatings from Poly(limonene carbonate) Oxide and Synthetic Hardeners
por: Bonamigo Moreira, Vitor, et al.
Publicado: (2022)

Cannot write session to /tmp/vufind_sessions/sess_m51di28uvfibk13vg25v09af6h