Cargando…

Large Stabilization Effects by Intramolecular Beryllium Bonds in Ortho-Benzene Derivatives

Intramolecular interactions are shown to be key for favoring a given structure in systems with a variety of conformers. In ortho-substituted benzene derivatives including a beryllium moiety, beryllium bonds provide very large stabilizations with respect to non-bound conformers and enthalpy differenc...

Descripción completa

Detalles Bibliográficos
Autores principales:	I-Ting, Tsai, Montero-Campillo, M. Merced, Alkorta, Ibon, Elguero, José, Yáñez, Manuel
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8199991/ https://www.ncbi.nlm.nih.gov/pubmed/34199746 http://dx.doi.org/10.3390/molecules26113401

Ejemplares similares

The Importance of Strain (Preorganization) in Beryllium Bonds
por: Alkorta, Ibon, et al.
Publicado: (2020)

A Holistic View of the Interactions between Electron-Deficient Systems: Clustering of Beryllium and Magnesium Hydrides and Halides
por: Mó, Otilia, et al.
Publicado: (2023)

Relativistic Effects on NMR Parameters of Halogen-Bonded Complexes
por: Alkorta, Ibon, et al.
Publicado: (2019)

Dispersion, Rehybridization, and Pentacoordination: Keys to Understand Clustering of Boron and Aluminum Hydrides and Halides
por: Mó, Otilia, et al.
Publicado: (2023)

Activation of Dinitrogen as A Dipolarophile in 1,3-Dipolar Cycloadditions: A Theoretical Study Using Nitrile Imines as “Octet” 1,3-Dipoles
por: Montero-Campillo, M. Merced, et al.
Publicado: (2017)

Cooperative Effects in Weak Interactions: Enhancement of Tetrel Bonds by Intramolecular Hydrogen Bonds
por: Trujillo, Cristina, et al.
Publicado: (2019)

Theoretical Study of Intramolecular Interactions in Peri-Substituted Naphthalenes: Chalcogen and Hydrogen Bonds
por: Sánchez–Sanz, Goar, et al.
Publicado: (2017)

Interplay between Beryllium Bonds and Anion-π Interactions in BeR(2):C(6)X(6):Y(−) Complexes (R = H, F and Cl, X = H and F, and Y = Cl and Br)
por: Marín-Luna, Marta, et al.
Publicado: (2015)

Complexes of CO(2) with the Azoles: Tetrel Bonds, Hydrogen Bonds and Other Secondary Interactions
por: Del Bene, Janet E., et al.
Publicado: (2018)

Halogen Bonding Involving CO and CS with Carbon as the Electron Donor
por: Del Bene, Janet E., et al.
Publicado: (2017)

Hydrogen vs. Halogen Bonds in 1-Halo-Closo-Carboranes
por: Alkorta, Ibon, et al.
Publicado: (2020)

Perturbing the O–H(…)O Hydrogen Bond in 1-oxo-3-hydroxy-2-propene
por: Alkorta, Ibon, et al.
Publicado: (2021)

Energy of Intramolecular Hydrogen Bonding in ortho-Hydroxybenzaldehydes, Phenones and Quinones. Transfer of Aromaticity from ipso-Benzene Ring to the Enol System(s)
por: Rusinska-Roszak, Danuta
Publicado: (2017)

A Computational Study of Metallacycles Formed by Pyrazolate Ligands and the Coinage Metals M = Cu(I), Ag(I) and Au(I): (pzM)(n) for n = 2, 3, 4, 5 and 6. Comparison with Structures Reported in the Cambridge Crystallographic Data Center (CCDC)
por: Elguero, José, et al.
Publicado: (2020)

Nucleophilicities of Lewis Bases B and Electrophilicities of Lewis Acids A Determined from the Dissociation Energies of Complexes B⋯A Involving Hydrogen Bonds, Tetrel Bonds, Pnictogen Bonds, Chalcogen Bonds and Halogen Bonds
por: Alkorta, Ibon, et al.
Publicado: (2017)

Unusual Complexes of P(CH)(3) with FH, ClH, and ClF
por: Del Bene, Janet E., et al.
Publicado: (2020)

Complexes Between Adamantane Analogues B(4)X(6) -X = {CH(2), NH, O ; SiH(2), PH, S} - and Dihydrogen, B(4)X(6):nH(2) (n = 1–4)
por: Oliva-Enrich, Josep M., et al.
Publicado: (2020)

N(…)C and S(…)S Interactions in Complexes, Molecules, and Transition Structures HN(CH)SX:SCO, for X = F, Cl, NC, CCH, H, and CN
por: Del Bene, Janet E., et al.
Publicado: (2019)

Hybrid Boron-Carbon Chemistry
por: Oliva-Enrich, Josep M., et al.
Publicado: (2020)

Hydrogen-Bond Dissociation Energies from the Properties of Isolated Monomers
por: Alkorta, Ibon, et al.
Publicado: (2023)

Side‐On Bonded Beryllium Dinitrogen Complexes
por: Deng, Guohai, et al.
Publicado: (2020)

Interaction between Trinuclear Regium Complexes of Pyrazolate and Anions, a Computational Study
por: Alkorta, Ibon, et al.
Publicado: (2020)

Sequestration of Carbon Dioxide with Frustrated Lewis Pairs Based on N-Heterocycles with Silane/Germane Groups
por: Ferrer, Maxime, et al.
Publicado: (2021)

Use of 5,10‐Disubstituted Dibenzoazaborines and Dibenzophosphaborines as Cyclic Supports of Frustrated Lewis Pairs for the Capture of CO(2)
por: Ferrer, Maxime, et al.
Publicado: (2022)

Reactivity of a model of B(3)P(3)-doped nanographene with up to three CO(2) molecules
por: Ferrer, Maxime, et al.
Publicado: (2023)

Perturbating Intramolecular Hydrogen Bonds through Substituent Effects or Non-Covalent Interactions
por: Lamsabhi, Al Mokhtar, et al.
Publicado: (2021)

(19)F-NMR Diastereotopic Signals in Two N-CHF(2) Derivatives of (4S,7R)-7,8,8-Trimethyl-4,5,6,7-tetrahydro-4,7-methano-2H-indazole †
por: García-Pérez, Diana, et al.
Publicado: (2017)

Intramolecular Activation of C–O Bond by an o-Boryl Group in o-(Alkoxysilyl)(diarylboryl)benzenes
por: Shimizu, Tomomi, et al.
Publicado: (2019)

Structural Relevance of Intramolecular H-Bonding in Ortho-Hydroxyaryl Schiff Bases: The Case of 3-(5-bromo-2-hydroxybenzylideneamino) Phenol
por: Sıdır, İsa, et al.
Publicado: (2021)

Reactivity of Coinage Metal Hydrides for the Production of H(2) Molecules
por: Iribarren, Iñigo, et al.
Publicado: (2021)

Evaluation of Electron Density Shifts in Noncovalent Interactions
por: Iribarren, Iñigo, et al.
Publicado: (2021)

Study of Beryllium, Magnesium, and Spodium Bonds to Carbenes and Carbodiphosphoranes
por: Jabłoński, Mirosław
Publicado: (2021)

The Effect of Intramolecular Hydrogen Bond Type on the Gas-Phase Deprotonation of ortho-Substituted Benzenesulfonic Acids. A Density Functional Theory Study
por: Giricheva, Nina I., et al.
Publicado: (2020)

Dismantlement of ammonia upon interaction with Be ( n ) ( n ≤ 10) clusters
por: Yáñez, Manuel, et al.
Publicado: (2022)

Synthesis and intramolecular singlet fission properties of ortho-phenylene linked oligomers of diphenylhexatriene
por: Millington, Oliver, et al.
Publicado: (2023)

An Ab Initio Investigation of the Geometries and Binding Strengths of Tetrel-, Pnictogen-, and Chalcogen-Bonded Complexes of CO(2), N(2)O, and CS(2) with Simple Lewis Bases: Some Generalizations
por: Alkorta, Ibon, et al.
Publicado: (2018)

High Specific Stiffness Beryllium and Beryllium Alloys
por: Levoy, N F, et al.
Publicado: (1994)

Intramolecular Hydrogen Bonding 2021
por: Jabłoński, Mirosław
Publicado: (2021)

Study of the Addition Mechanism of 1H-Indazole and Its 4-, 5-, 6-, and 7-Nitro Derivatives to Formaldehyde in Aqueous Hydrochloric Acid Solutions
por: Alkorta, Ibon, et al.
Publicado: (2022)

An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study of the Halogen Bond with Explicit Analysis of Electron Correlation
por: Alkorta, Ibon, et al.
Publicado: (2020)

Cannot write session to /tmp/vufind_sessions/sess_4a092uvurvvjia74pm76r1vceu