Results 131 to 140 of about 363,660 (280)

A database of steric and electronic properties of heteroaryl substituents

Scientific Data
Heteroaryl substituents are important building blocks of functionalized organic compounds in drug discovery, materials science, and catalysis. Quantitative descriptions of steric and electronic properties of heteroaryl substituents are essential in ...
Turki M. Alturaifi, Grace E. Scofield, Shengchun Wang, Peng Liu   +3 more
doaj   +1 more source

An NMR Study of Substituent Effects in Ortho-Substituted Aryl Methyl Sulfides [PDF]

, 1973
This 51 page thesis involved the synthesis of a series of ortho substituted methyl phenyl sulfides and the subsequent interpretation of their nmr spectra to see if a linear correlation of reported ortho sigma constants with carbon 13-proton coupling ...
Pacala, Luba Anne
core  

Tunable Raman Scattering of Fe(II) Coordination Networks With Magnetic Fields

Angewandte Chemie, EarlyView.
Four heavy Hg(II) coordination networks with paramagnetic Fe(II) sites reveal strong and halogen‐tunable low‐frequency (LF) sub‐terahertz phonons and field‐dependent magnetic transitions. LF phonon spectroscopy and Raman magnetospectroscopy are powerful probes of structure, low‐energy vibration, zero‐field splitting, and spin–phonon coupling supported ...
Guanping Li, Olaf Stefanczyk, Joseph M. Flitcroft, Jonathan M. Skelton, William T. Morrillo, Meagan Oakley, Lulu Xiong, Koji Nakabayashi, Dmitry Smirnov, Komalavalli Thirunavukkuarasu, Mykhaylo Ozerov, Shin‐ichi Ohkoshi, Nicholas F. Chilton   +12 more
wiley   +2 more sources

Steroid absorption - use of the substituent constant π'

Journal of Pharmacy and Pharmacology, 1977
M E, Pickup, A H, Beckett
openaire   +2 more sources

Substituent effects on thermochemical properties of free radicals. New substituent scales for C-centered radicals

, 2020
In this work, we have analyzed substituent effects on ionization potentials and electron affinities of C-centered radicals in terms of operational atomic contributions.
Cherkasov A., Jonsson M.
core  

A Dicationic Diradicaloid through Intramolecular One‐Electron Transfer from a B‐B σ‐Bond to an Aromatic π‐System

Angewandte Chemie, EarlyView.
In this work, the first example of a diradicaloid involving a B‐B σ‐bond is presented. The triplet state is thermally populated through fully‐reversible intramolecular electron transfer from the B‐B σ‐bond into a π*‐acceptor orbital. ABSTRACT Herein we report on a novel type of main group diradicaloid with the triplet state arising from unprecedented ...
Lea Haas, Maximilian Schulz, Olaf Hübner, Elisabeth Kaifer, Hans‐Jörg Himmel   +4 more
wiley   +2 more sources

Second‐Sphere Aromatic Substitutions That Tune H‐Atom Transfer Reactivity Observed for a Series of S = 1 Nonheme FeIV=O Complexes: An Enthalpy‐Entropy Compensation Effect

Angewandte Chemie, EarlyView.
A series of oxoiron(IV) complexes was synthesized to determine the impact of electronically tuned aromatic substitution in the secondary sphere of the ligand. Despite possessing identical electronic properties, they show significant differences in C─H oxidation reactions.
Abhishek Das, Jin Xiong, Victor G. Young Jr., Yisong Guo, Marcel Swart, Lawrence Que Jr.   +5 more
wiley   +1 more source

Guest Transition Metals in Host Keplerate Nanocapsules as Supramolecular Inorganic Functional Mimics of Monooxygenase Enzymes

Angewandte Chemie, EarlyView.
A Keplerate, an inorganic, porous buckyball was used as a host for copper metal cations ligated by histidine surrogates. Prepared by a simple assembly technique, the guest–host complex was used as a primitive biomimetic model of a monooxygenase enzyme complex, where C─H bonds were electrocatalytically hydroxylated by oxygen under reducing conditions ...
Eynat Haviv, Hagai Cohen, Ayelet Vilan, Liat Avram, Ronny Neumann   +4 more
wiley   +2 more sources

Cobalt‐Catalyzed C─N Bond Formation via Metal‐Hydride Hydrogen Atom Transfer (MHAT)

Angewandte Chemie, EarlyView.
Cobalt‐catalyzed metal‐hydride hydrogen atom transfer (Co‐MHAT) converts simple alkenes into C─N bonds under mild, near‐neutral conditions. A shared Co─H‐initiated radical/organocobalt intermediate is channeled into radical trapping, radical‐polar crossover, or radical ligand transfer, unifying hydroamination, hydroazidation, hydroamidation, and remote
Arman Khosravi, Ming‐Yu Ngai
wiley   +2 more sources

Original scientific paper A study of substituent effects on the NH bond in alkyl and aryl

, 2007
: Substituent effects on the IR stretching frequencies and 1 H-NMR chemical shifts of the pyridone NH group in 4- and 6-disubstituted alkyl and aryl 3-cyano-2-pyridones were investigated. The bands most sensitive to substituent effects from the broad and
Slobodanka Jovanović, Dejan Djoković, Dušan Mijin, Janos Csanadi   +3 more
core