Results 141 to 150 of about 55,695 (341)

Crystal Structure of Cyclohexane-1,4-dioxime. [PDF]

, 1968
P. Groth, Svend Erik Rasmussen, Dermot B. Taylor, A. Haug, C. Enzell, G. Francis   +5 more
openalex   +1 more source

Olefin separation from FCC naphtha by deep eutectic solvents: PC‐SAFT modeling and molecular insights

AIChE Journal, EarlyView.
Abstract Olefin extractive separation from fluid catalytic cracking (FCC) naphtha with deep eutectic solvents (DESs) was systematically investigated in this work. In a first step, different DESs were screened for their separation performance of the binary mixture benzene/1‐hexene.
Gangqiang Yu, Yufeng Li, Iman Bahrabadi Jovein, Paul Figiel, Biaohua Chen, Gabriele Sadowski, Christoph Held   +6 more
wiley   +1 more source

Computational Study of Ignored Pericyclic Reactions: Rearrangements of 1,2‐Bis(Diazo)Alkanes to 1,2,3,4‐Tetrazines and Subsequent Fragmentations

Angewandte Chemie, EarlyView.
DFT calculations of the 8π‐electrocyclization of 1,2‐bis(diazo)alkanes and of other bis‐1,3‐dipoles reveal that this process can establish a so far ignored route to heterocycles such as 1,2,3,4‐tetrazines. Alternative reaction channels via carbenes or nitrenes leading to fragmentation products are discussed.
Hans‐Ulrich Reissig, Ernst‐Ulrich Würthwein   +1 more
wiley   +2 more sources

Computational studies of Brønsted acid-catalyzed transannular cycloadditions of cycloalkenone hydrazones. [PDF]

Beilstein J Org Chem, 2023
Pedrón M, Sendra J, Ginés I, Tejero T, Vicario JL, Merino P.   +5 more
europepmc   +1 more source

Molecular Theoretical Investigation on Cyclohexane-Methylcyclopentane Equilibrium (Supplement)

, 1941
San-ichiro MIZUTHIMA, Yonezo Morino, Ryoiti FUJISHIRO   +2 more
openalex   +2 more sources

Interpretable Machine Learning for Solvent‐Dependent Carrier Mobility in Solution‐Processed Organic Thin Films

Advanced Intelligent Discovery, EarlyView.
This work establishes a correlation between solvent properties and the charge transport performance of solution‐processed organic thin films through interpretable machine learning. Strong dispersion interactions (δD), moderate hydrogen bonding (δH), closely matching and compatible with the solute (quadruple thiophene), and a small molar volume (MolVol)
Tianhao Tan, Lian Duan, Dong Wang
wiley   +1 more source

Refractive dispersion of organic compounds. V-Oxygenated derivatives of cyclohexane the inadequacy of the Ketteler-Helmholtz equation

, 1934
C. B. Allsopp
openalex   +1 more source

Crystal Structure of the (1:1) Addition Compound Cyclohexane-1,4-dione--Diiodoacetylene. [PDF]

, 1965
P. Groth, O. Hassel, Nils Jakob Gröndahl, Charles Guthrie, Merv Hinton   +4 more
openalex   +1 more source

One‐Pot Sequential Heck–Suzuki Synthesis of 5‐Styryl‐9‐Hydroxy‐1H‐phenalen‐1‐ones with Tunable Optoelectronic Properties

Asian Journal of Organic Chemistry, EarlyView.
A one‐pot Heck–Suzuki three‐component reaction gives access to a library of 5‐styryl‐substituted 9‐hydroxyphenalenones. Redox potentials, absorption, and emission data, complemented by (TD)DFT electronic‐structure calculations provide a sound basis for rational structure–property relationships for the design of these multifunctional chromophores ...
Sven Daniel, Thomas J. J. Müller
wiley   +1 more source

Symmetry Breaking and Hydrogen Bonding in Phthalimide Compounds Enable Efficient Room‐Temperature Circularly Polarized Phosphorescence in Solution

Angewandte Chemie, EarlyView.
Purely organic chiral room‐temperature phosphorescence (RTP) emitters are gaining increasing attention, but predicting the key factors governing polarized luminescence remains challenging, as RTP is rarely observed in solution. The crucial role of hydrogen bonding and symmetry breaking in modulating chiral triplet excited‐state interactions via n‐π ...
Catherine Demangeat, Maxime Rémond, John M. Hudson, Emrys W. Evans, Denis Jacquemin, Ludovic Favereau   +5 more
wiley   +2 more sources