Results 41 to 50 of about 55,314 (289)

DFT Exploration of Metal Ion–Ligand Binding: Toward Rational Design of Chelating Agent in Semiconductor Manufacturing

Molecules
Chelating agents are commonly employed in microelectronic processes to prevent metal ion contamination. The ligand fragments of a chelating agent largely determine its binding strength to metal ions.
Wenyuan Wang, Junli Zhu, Qi Huang, Lei Zhu, Ding Wang, Weimin Li, Wenjie Yu   +6 more
doaj   +1 more source

Regioselective N- versus P-Deprotonation of Aminophosphane Tungsten(0) Complexes

Organics, 2022
1,2-Bifunctional ligands are rare, in general, which holds especially for those with a P-N linkage. Herein, we report on the synthesis of P-tert-butyl substituted aminophosphane W(CO)5 complexes 3a-f (a: R = R’ = H; b: R = H, R = Me; c: R = H, R’ = ally;
Tatjana Terschüren, Philip Junker, Alexander Schmer, Arturo Espinosa Ferao, Rainer Streubel   +4 more
doaj   +1 more source

Fluoride-driven ‘turn on’ ESPT in the binding with a novel benzimidazole-based sensor

Beilstein Journal of Organic Chemistry, 2015
A novel fluorescence sensor (BIP) bearing NH and OH subunits displayed a highly selective and sensitive recognition property for fluoride over other anions.
Kai Liu, Xiaojun Zhao, Qingxiang Liu, Jianzhong Huo, Bolin Zhu, Shihua Diao   +5 more
doaj   +1 more source

Deprotonative Functionalization of the Difluoromethyl Group

Organic Letters, 2020
The functionalization of 3-(difluoromethyl)pyridine has been developed via direct deprotonation of -CHF2 with a lithiated base and subsequent trapping with various electrophiles in THF. In situ quenching gives access to 3-pyridyl-CF2-SiMe2Ph as a new silylated compound, which can be postfunctionalized with a fluoride source to obtain a larger library ...
Laura Santos, Armen Panossian, Morgan Donnard, Jean-Pierre Vors, Sergii Pazenok, David Bernier, Frédéric R. Leroux   +6 more
openaire   +3 more sources

Regioselective carbon–carbon bond formation of 5,5,5-trifluoro-1-phenylpent-3-en-1-yne

Beilstein Journal of Organic Chemistry, 2013
The regioselective carbon–carbon bond formation was studied using 5,5,5-trifluoro-1-phenylpent-3-en-1-yne as a model substrate, and predominant acceptance of electrophiles β to a CF3 group as well as a deuterium trap experiment of the lithiated species ...
Motoki Naka, Tomoko Kawasaki-Takasuka, Takashi Yamazaki   +2 more
doaj   +1 more source

Hantzsch Synthesis of 2,6-Dimethyl-3,5-dimethoxycarbonyl-4-(o-methoxyphenyl)-1,4-dihydropyridine; a Novel Cyclisation Leading to an Unusual Formation of 1-Amino-2-methoxycarbonyl-3,5-bis(o-methoxyphenyl)-4-oxa-cyclohexan-1-ene

Molecules, 2007
Hantzsch condensation of two equivalents of methyl-3-aminocrotonate with (m-and p)-methoxybenzaldehyde afforded the expected products 2,6-dimethyl-3,5-dimethoxycarbonyl-4-(m-methoxyphenyl)-1,4-dihydropyridine and 2,6-dimethyl-3,5-dimethoxycarbonyl-4-(p ...
Vladimir Vinković, Ivica Cepanec, Mladen Litvić, Mirela Filipan-Litvić   +3 more
doaj   +1 more source

The Effect of Intramolecular Hydrogen Bond Type on the Gas-Phase Deprotonation of ortho-Substituted Benzenesulfonic Acids. A Density Functional Theory Study

Molecules, 2020
Structural factors have been identified that determine the gas-phase acidity of ortho-substituted benzenesulfonic acid, 2-XC6H4–SO3H, (X = –SO3H, –COOH, –NO2, –SO2F, –C≡N, –NH2, –CH3, –OCH3, –N(CH3)2, –OH).
Nina I. Giricheva, Sergey N. Ivanov, Anastasiya V. Ignatova, Mikhail S. Fedorov, Georgiy V. Girichev   +4 more
doaj   +1 more source

Deprotonation Kinetics of 1-Methylguanine After One-Electron Oxidation [PDF]

, 2014
Among the four natural DNA bases, guanine (G) is the most sensitive to oxidation due to its lowest oxidation potential. When G base is oxidized to guanine cation radical (G(+center dot)), it will deprotonate from both the imino proton N-1-H and the amino
Jie Jialong, Su Hongmei, Wu Lidan, Liu Kunhui   +3 more
core   +1 more source

Computational exploration of the reaction mechanism of the Cu+-catalysed synthesis of indoles from N-aryl enaminones [PDF]

Royal Society Open Science, 2016
We have studied the role of Cu+-phenantroline as a catalyst in the cyclization of N-aryl-enaminones using density-functional theory computations. The catalyst was found to bind the substrate upon deprotonation of its eneaminone, and to dramatically ...
Carlos E. P. Bernardo, Pedro J. Silva
doaj   +1 more source

P-Stereogenic Phosphines Prepared by Enantioselective Deprotonation [PDF]

, 2010
This chapter describes the preparation of P-stereogenic phosphines by enantioselective deprotonation and electrophilic quenching of precursors bearing certain enantio- or diastereotopic groups.

core   +1 more source