Works matching DE "HYPERCONJUGATION"

Results: 96

Electrostatic CH−π Interactions Can Override Fluorine Gauche Effects To Exert Conformational Control.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 6, p. 1, doi. 10.1002/chem.202203139

By:

Emenike, Bright U.;
Farshadmand, Amiel;
Zeller, Matthias;
Roman, Armando J.;
Sevimler, Arzu;
Shinn, David W.

Publication type:

Article

Chalcogen Bonding with Diaryl Ditellurides: Evidence from Solid State and Solution Studies.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 25, p. 1, doi. 10.1002/chem.202200395

By:

Weiss, Robin;
Aubert, Emmanuel;
Groslambert, Loic;
Pale, Patrick;
Mamane, Victor

Publication type:

Article

The Combination of Cross‐Hyperconjugation and σ‐Conjugation in 2,5‐Oligosilanyl Substituted Siloles.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 71, p. 17252, doi. 10.1002/chem.202003150

By:

Pöcheim, Alexander;
Özpınar, Gül Altınbaş;
Müller, Thomas;
Baumgartner, Judith;
Marschner, Christoph

Publication type:

Article

Understanding the Conformational Behavior of Fluorinated Piperidines: The Origin of the Axial‐F Preference.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 28, p. 6141, doi. 10.1002/chem.202001355

By:

Nairoukh, Zackaria;
Strieth‐Kalthoff, Felix;
Bergander, Klaus;
Glorius, Frank

Publication type:

Article

A Phosphine-Coordinated Boron-Centered Gomberg-Type Radical.

Published in:

Angewandte Chemie, 2015, v. 127, n. 32, p. 9330, doi. 10.1002/ange.201504502

By:

Rosenthal, Amos J.;
Devillard, Marc;
Miqueu, Karinne;
Bouhadir, Ghenwa;
Bourissou, Didier

Publication type:

Article

Charge-Scaling Effect in Ionic Liquids from the Charge-Density Analysis of N, N′-Dimethylimidazolium Methylsulfate.

Published in:

Angewandte Chemie, 2014, v. 126, n. 12, p. 3207, doi. 10.1002/ange.201308760

By:

Beichel, Witali;
Trapp, Nils;
Hauf, Christoph;
Kohler, Oliver;
Eickerling, Georg;
Scherer, Wolfgang;
Krossing, Ingo

Publication type:

Article

The pervasive influence of hyperconjugation: the intrinsic (gas phase) acidities of adamantane, adamantanol, and some of their fluorinated derivatives.

Published in:

Proceedings of the Estonian Academy of Sciences, Chemistry, 2005, v. 54, n. 2, p. 60, doi. 10.3176/chem.2005.2.02

By:

Abboud, José-Luis M.;
Mishima, Masaaki;
Sonoda, Takaaki

Publication type:

Article

The nature of the electronic factor governing diastereofacial selectivity in remotely substituted (X) 2-adamantyl cations: 5-X versus 4-X substitution.

Published in:

Journal of Physical Organic Chemistry, 2007, v. 20, n. 10, p. 791, doi. 10.1002/poc.1247

By:

Adcock, William;
Trout, Neil A.

Publication type:

Article

The anionic chain process mechanism for reactions of perchlorofluoroethanes with nucleophiles in solution: a theoretical study.

Published in:

Journal of Physical Organic Chemistry, 2007, v. 20, n. 1, p. 65, doi. 10.1002/poc.1128

By:

Cheng-Gen Zhang;
Ming-Bao Huang

Publication type:

Article

Dismantling the Hyperconjugation of π‐Conjugated Phosphorus Heterocycles.

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 38, p. 9035, doi. 10.1002/chem.201900225

By:

Larrañaga, Olatz;
Romero‐Nieto, Carlos;
de Cózar, Abel

Publication type:

Article

Agostic Interactions in Early Transition‐Metal Complexes: Roles of Hyperconjugation, Dispersion, and Steric Effect.

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 26, p. 6591, doi. 10.1002/chem.201900436

By:

Lin, Xuhui;
Wu, Wei;
Mo, Yirong

Publication type:

Article

The effects of σC-Se-π hyperconjugation in 1-methoxy- and 1-nitro-4-[(phenylselanyl)methyl]benzene.

Published in:

Acta Crystallographica Section C: Structural Chemistry, 2014, v. 70, n. 12, p. 1109, doi. 10.1107/S2053229614022724

By:

White, Jonathan Michael;
Blanc, Paul

Publication type:

Article

The role of hyperconjugative π-aromaticity in the enhanced acidity of methyl-, silyl and germylcyclopentadienes.

Published in:

Molecular Physics, 2010, v. 108, n. 19/20, p. 2467, doi. 10.1080/00268976.2010.502138

By:

González-Castrillo, Alberto;
Hurtado, Marcela;
Mó, Otilia;
Yáñez, Manuel;
Guillemin, Jean-Claude

Publication type:

Article

Filling the Gap within 10‐Membered Heteroenediynes: Thiaenediyne – An Experimental and Theoretical Study.

Published in:

European Journal of Organic Chemistry, 2024, v. 27, n. 47, p. 1, doi. 10.1002/ejoc.202401127

By:

Danilkina, Natalia A.;
Khmelevskaya, Ekaterina A.;
Shtyrov, Andrey A.;
Ryazantsev, Mikhail N.;
Khlebnikov, Alexander F.;
Tupikina, Elena Yu.;
Rumyantsev, Andrey M.;
D'yachenko, Alexander S.;
Balova, Irina A.

Publication type:

Article

Stereoelectronic Effects in Multivicinal Fluoroalkanes and Conformational Implications.

Published in:

European Journal of Organic Chemistry, 2020, v. 2020, n. 4, p. 501, doi. 10.1002/ejoc.201901780

By:

Simões, Luís H.;
Cormanich, Rodrigo A.

Publication type:

Article

Cover Feature: Synthesis and Reactivity of α‐Haloglycine Esters: Hyperconjugation in Action (Eur. J. Org. Chem. 39/2019).

Published in:

European Journal of Organic Chemistry, 2019, v. 2019, n. 39, p. 6580, doi. 10.1002/ejoc.201901447

By:

Samanta, Shyam S.;
Roche, Stéphane P.

Publication type:

Article

Synthesis and Reactivity of α‐Haloglycine Esters: Hyperconjugation in Action.

Published in:

European Journal of Organic Chemistry, 2019, v. 2019, n. 39, p. 6597, doi. 10.1002/ejoc.201901033

By:

Samanta, Shyam S.;
Roche, Stéphane P.

Publication type:

Article

Large Hyperconjugation in Strained Systems.

Published in:

Chemistry - A European Journal, 2014, v. 20, n. 39, p. 12601, doi. 10.1002/chem.201403582

By:

Racine, Julien;
Humbel, Stéphane

Publication type:

Article

Substitution Effects on the Formation of T-Shaped Palladium Carbene and Thioketone Complexes from Li/Cl Carbenoids.

Published in:

Chemistry - A European Journal, 2014, v. 20, n. 34, p. 10752, doi. 10.1002/chem.201304927

By:

Molitor, Sebastian;
Feichtner, Kai ‐ Stephan;
Kupper, Claudia;
Gessner, Viktoria H.

Publication type:

Article

2,6-Diphospha- s-indacene-1,3,5,7(2 H,6 H)-tetraone: A Phosphorus Analogue of Aromatic Diimides with the Minimal Core Exhibiting High Electron-Accepting Ability.

Published in:

Chemistry - A European Journal, 2014, v. 20, n. 33, p. 10266, doi. 10.1002/chem.201403735

By:

Takeda, Youhei;
Nishida, Takuya;
Minakata, Satoshi

Publication type:

Article

On the Nature of Blueshifting Hydrogen Bonds.

Published in:

Chemistry - A European Journal, 2014, v. 20, n. 27, p. 8444, doi. 10.1002/chem.201402189

By:

Mo, Yirong;
Wang, Changwei;
Guan, Liangyu;
Braïda, Benoît;
Hiberty, Philippe C.;
Wu, Wei

Publication type:

Article

Influence of stereoelectronic effects on the 1JC─F spin–spin coupling constant in fluorinated heterocyclic compounds.

Published in:

Magnetic Resonance in Chemistry, 2019, v. 57, n. 7, p. 373, doi. 10.1002/mrc.4854

By:

Silla, Josué M.;
Andrade, Laize A.F.;
Freitas, Matheus P.

Publication type:

Article

A theoretical study of keto-enol isomerism and internal rotation in the HSalen molecule, N,N′-ethylene-bis(salicylidenimine) - schiff base.

Published in:

Journal of Structural Chemistry, 2011, v. 52, n. 1, p. 16, doi. 10.1134/S0022476611010033

By:

Sliznev, V.;
Girichev, G.

Publication type:

Article

Predicting an Antiaromatic Benzene Ring in the Ground State Caused by Hyperconjugation.

Published in:

Chemistry - An Asian Journal, 2019, v. 14, n. 23, p. 4309, doi. 10.1002/asia.201901261

By:

Zhao, Yu;
Xie, Qiong;
Sun, Tingting;
Wu, Jiashun;
Zhu, Jun

Publication type:

Article

Front Cover: Probing the Most Aromatic and Antiaromatic Pyrrolium Rings by Maximizing Hyperconjugation and Push–Pull Effect (Chem. Asian J. 11/2018).

Published in:

Chemistry - An Asian Journal, 2018, v. 13, n. 11, p. 1386, doi. 10.1002/asia.201800356

By:

Sun, Tingting;
Xie, Qiong;
Zhao, Liang;
Zhu, Jun

Publication type:

Article

Probing the Most Aromatic and Antiaromatic Pyrrolium Rings by Maximizing Hyperconjugation and Push–Pull Effect.

Published in:

Chemistry - An Asian Journal, 2018, v. 13, n. 11, p. 1419, doi. 10.1002/asia.201800179

By:

Sun, Tingting;
Xie, Qiong;
Zhao, Liang;
Zhu, Jun

Publication type:

Article

Pseudo‐silapnictene and Bis(pseudo‐silapnictene) – Hyperconjugatively Stabilized Heavier Analogues of Imine and Ethane‐1,2‐diimine.

Published in:

European Journal of Inorganic Chemistry, 2025, v. 28, n. 4, p. 1, doi. 10.1002/ejic.202400722

By:

Muhammed, Shahila;
Parameswaran, Pattiyil

Publication type:

Article

Unveiling the effect of 2D silagraphene structural diversity on electronic properties: DFT, DOS, and ELF studies.

Published in:

Journal of Molecular Modeling, 2022, v. 28, n. 9, p. 1, doi. 10.1007/s00894-022-05251-3

By:

Chataoui, Hassan;
Bahsis, Lahoucine;
Anane, Hafid;
Jarid, Abdellah;
El Houssame, Soufiane

Publication type:

Article

A theoretical investigation on the conformation and the interaction of CHFOCFCHF (desflurane II) with one water molecule.

Published in:

Journal of Molecular Modeling, 2013, v. 19, n. 11, p. 5045, doi. 10.1007/s00894-013-2016-4

By:

Sutradhar, Dipankar;
Zeegers-Huyskens, Therese;
Chandra, Asit

Publication type:

Article

Anticancer nanometre-biomissiles carrying a leucine insulator and an antibody complementarity-determining region.

Published in:

Current Science (00113891), 2021, v. 120, n. 1, p. 177, doi. 10.18520/cs/v120/i1/177-185

By:

Meng Xing;
Xiaoxia Li;
Shanshan An;
Chongfeng Lan;
Min Fu;
Yunfan Shi;
Yan Huang;
Man Tang;
Yulin Wan;
Yuchuan Wang;
Jingli Peng;
Kai Wang;
Zi-Wei Ye;
Shaoping Weng;
Qiuyun Liu;
Jianguo He;
Wenliang Zhou

Publication type:

Article

Synthesis and conformational features of sym N,N′,N″-triarylguanidines.

Published in:

Journal of Chemical Sciences, 2010, v. 122, n. 2, p. 157, doi. 10.1007/s12039-010-0017-8

By:

Gopi, Kanniyappan;
Rathi, Brijesh;
Thirupathi, Natesan

Publication type:

Article

Structural formulas and explanation in organic chemistry.

Published in:

Foundations of Chemistry, 2008, v. 10, n. 2, p. 117, doi. 10.1007/s10698-007-9033-2

By:

Goodwin, W.

Publication type:

Article

Theoretical study on dithieno[3,2- b:2′,3′- d]phosphole derivatives: high-efficiency blue-emitting materials with ambipolar semiconductor behavior.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 127, n. 4, p. 419, doi. 10.1007/s00214-010-0730-x

By:

Jie Wu;
Shuixing Wu;
Yun Geng;
Guochun Yang;
Muhammad, Shabbir;
Junling Jin;
Yi Liao;
Zhongmin Su

Publication type:

Article

Car-Parrinello molecular dynamics simulations and EPR property calculations on aqueous ubisemiquinone radical anion.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 5/6, p. 477, doi. 10.1007/s00214-007-0408-1

By:

Asher, James R.;
Kaupp, Martin

Publication type:

Article

Extremely localized molecular orbitals: theory and applications.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 117, n. 5/6, p. 685, doi. 10.1007/s00214-006-0200-7

By:

Sironi, Maurizio;
Genoni, Alessandro;
Civera, Monica;
Pieraccini, Stefano;
Ghitti, Michela

Publication type:

Article

Isomerization reactions of RSNO (R=H, C n H2 n+1 n≤ 4).

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 117, n. 1, p. 145, doi. 10.1007/s00214-006-0164-7

By:

Lai, Chin-Hung;
Li, Elise;
Chou, Pi-Tai

Publication type:

Article

Hyperconjugation and Hydrogen Bonding Interactions Effect with the Nonlinear Optical Features of 4-Chlorophenoxy Acetonitrile: An Experimental and DFT Methodology.

Published in:

Polycyclic Aromatic Compounds, 2024, v. 44, n. 5, p. 2887, doi. 10.1080/10406638.2023.2225677

By:

Ganapathi Raman, R.;
Preeda, P.

Publication type:

Article

Interheteromolecular Hyperconjugation Boosts (De)hydrogenation for Reversible H2 Storage.

Published in:

ChemSusChem, 2023, v. 16, n. 1, p. 1, doi. 10.1002/cssc.202201512

By:

Xue, Wenjie;
Liu, Hongxia;
Zhao, Binbin;
Tang, Conghui;
Xia, Bao Yu;
You, Bo

Publication type:

Article

Anion‐Exchange Membranes for Alkaline Fuel‐Cell Applications: The Effects of Cations.

Published in:

ChemSusChem, 2018, v. 11, n. 1, p. 58, doi. 10.1002/cssc.201701600

By:

Sun, Zhe;
Yan, Feng;
Lin, Bencai

Publication type:

Article

Effect of Ligand Chirality and Hyperconjugation on the Thermodynamic Stability of a Tris(aquated) GdIII Complex: Synthesis, Characterization, and T1‐Weighted Phantom MR Image Study.

Published in:

European Journal of Inorganic Chemistry, 2019, v. 2019, n. 20, p. 2518, doi. 10.1002/ejic.201900043

By:

Khannam, Mahmuda;
Sahoo, Suban K.;
Mukherjee, Chandan

Publication type:

Article

The Effects of Hybridization and Hyperconjugation in the Intramolecular Blue-shifted H-Bonds N-H…O.

Published in:

Chemistry Letters, 2008, v. 37, n. 6, p. 1, doi. 10.1246/cl.2008.596

By:

An Yong Li

Publication type:

Article

Two-coordinate Group 13 Element (Al, Ga) Centered Cations Formed by Silyl Group Migration: Synthesis and Characterization.

Published in:

Chemistry Letters, 2007, v. 36, n. 8, p. 984, doi. 10.1246/cl.2007.984

By:

Nakamoto, Masaaki;
Shimizu, Kousuke;
Sekiguchi, Akira

Publication type:

Article

σ‐π Hyperconjugation as a Design Strategy for High‐Performance Fluorescent Covalent Organic Frameworks.

Published in:

Angewandte Chemie, 2025, v. 137, n. 17, p. 1, doi. 10.1002/ange.202425436

By:

Liu, Yin‐sheng;
Xue, Rui;
Zhu, Kai;
Yan, Bing

Publication type:

Article

MIDA‐ and TIDA‐Boronates Stabilize α‐Radicals Through B−N Hyperconjugation.

Published in:

Angewandte Chemie, 2023, v. 135, n. 40, p. 1, doi. 10.1002/ange.202309566

By:

LaPorte, Antonio J.;
Feldner, Jack E.;
Spies, Jan C.;
Maher, Tom J.;
Burke, Martin D.

Publication type:

Article

A Linear C=Ge=C Heteroallene with a Di‐coordinated Germanium Atom.

Published in:

Angewandte Chemie, 2023, v. 135, n. 24, p. 1, doi. 10.1002/ange.202302836

By:

Sugamata, Koh;
Asakawa, Teppei;
Hashizume, Daisuke;
Minoura, Mao

Publication type:

Article

The Homopolyatomic Sulfur Cation [S 20 ] 2+.

Published in:

Inorganics, 2025, v. 13, n. 1, p. 23, doi. 10.3390/inorganics13010023

By:

Derendorf, Janis;
Heiderich, Lara;
Jenne, Carsten;
Nierstenhöfer, Marc C.

Publication type:

Article

On the Harmonic Oscillator Model of Electron Delocalization (HOMED) Index and its Application to Heteroatomic Π-Electron Systems.

Published in:

Symmetry (20738994), 2010, v. 2, n. 3, p. 1485, doi. 10.3390/sym2031485

By:

Raczyñska, Ewa D.;
Hallman, Malgorzata;
Kolczyñska, Katarzyna;
Stêpniewski, Tomasz M.

Publication type:

Article

Theoretical study of H bonds of HArF and HF with isoelectronic systems N2, CO, and BF.

Published in:

Canadian Journal of Chemistry, 2010, v. 88, n. 4, p. 352, doi. 10.1139/V10-004

By:

An Yong Li;
Li Juan Cao;
Hong Bo Ji

Publication type:

Article

Variation of the ease of α-sulfonyl carbanion formation with the orientation of different β-substituents: Experimental evidence for the generality of negative hyperconjugation as an important substituent effect.

Published in:

Canadian Journal of Chemistry, 2003, v. 81, n. 6, p. 638, doi. 10.1139/v03-015

By:

King, James F;
Li, Manqing;
Cheng, Allan Zijun;
Dave, Vinod;
Payne, Nicholas C

Publication type:

Article

An ab initio study of conformations and sigmatropic shifts in triazene and its mono-, di-, and trimethyl derivatives.

Published in:

Canadian Journal of Chemistry, 2002, v. 80, n. 5, p. 447, doi. 10.1139/v02-049

By:

Pye, Cory C;
Vaughan, Keith;
Glister, Julie F

Publication type:

Article