<? ACS-CT-START-Insert?> Update 2 of:<? ACS-CT-END-Insert?> Electrophilicity Index

PK Chattaraj… - Chemical …, 2011 - ACS Publications
Chemistry is the science of bond making and bond breaking. A thorough knowledge of these
processes in the course of the chemical reaction lies at the heart of any reaction mechanism …

[HTML][HTML] Recent advances in 1, 4-benzoquinone chemistry

I Abraham, R Joshi, P Pardasani… - Journal of the Brazilian …, 2011 - SciELO Brasil
1, 4-Benzoquinones are ubiquitous in nature and can be synthesized by diverse strategies.
Recent developments on their synthetic methodologies, cycloaddition reactions …

A computational investigation of the selectivity and mechanism of the Lewis acid catalyzed oxa‐Diels–Alder cycloaddition of substituted diene with benzaldehyde

A Khorief Nacereddine, L Merzoud… - Journal of …, 2021 - Wiley Online Library
The selectivity and the mechanism of the uncatalyzed and AlCl3 catalyzed hetero‐Diels–
Alder reaction (HDR) between ([E]‐4‐methylpenta‐2, 4‐dienyloxy)(tert‐butyl) dimethylsilane …

DFT calculations induced a regiochemical outcome revision of the Diels–Alder reaction between levoglucosenone and isoprene

AM Sarotti, AG Suárez, RA Spanevello - Tetrahedron Letters, 2011 - Elsevier
An appealing inversion in the regiochemical outcome of Diels–Alder reactions between
levoglucosenone (1) and its α-bromo derivative (5) with isoprene (2) was studied …

Understanding the origin of reactivity, mechanism and regioselectivity of the [3+ 2] cycloaddition reaction between nitrile imine and pyrrolopyrazine

H Hamdaoui, A Khorief Nacereddine… - Journal of Physical …, 2023 - Wiley Online Library
In this work, we have performed a computational study on the [3+ 2] cycloaddition (32CA)
reaction between nitrile imine and pyrrolopyrazine within molecular electron density theory …

On the catalytic effect of water in the intramolecular Diels–Alder reaction of quinone systems: A theoretical study

J Soto-Delgado, A Aizman, R Contreras, LR Domingo - Molecules, 2012 - mdpi.com
The mechanism of the intramolecular Diels–Alder (IMDA) reaction of benzoquinone 1, in the
absence and in the presence of three water molecules, 1w, has been studied by means of …

Catalytic effect of molecular iodine in Diels–Alder reaction: a density functional theory study

S Deuri, P Phukan - Structural Chemistry, 2011 - Springer
We explore here the feasibility of employing molecular iodine as Lewis acid catalyst for Diels–
Alder (DA) reaction using conceptual density functional theory (DFT) based reactivity indices …

A Molecular Electron Density Theory Study of the Polar Diels-Alder Reaction of Naphtoquinone:Cr(CO)3 Complex with Cyclic Dienes

LR Domingo, MJ Aurell… - Polycyclic Aromatic …, 2023 - Taylor & Francis
The role of the Cr (CO) 3 coordination to the aromatic ring of naphtoquinone (NQ) in the
polar Diels-Alder (P-DA) reactions with cyclic dienes, cyclopentadiene (Cp), cyclohexadiene …

[HTML][HTML] Theoretical Study of the Reaction of (2, 2)-Dichloro (Ethyl) Arylphosphine with Bis (2, 2)-Dichloro (Ethyl) Arylphosphine by Hydrophosphination Regioselective …

KV Bohoussou, A Benié, MGR Koné, AB Kakou… - Computational …, 2017 - scirp.org
For this work, we have selected two reactions for the formation of (2, 2)-dichloro (ethyl)
Arylphosphine and bis (2, 2)-dichloro (ethyl) arylphosphine compounds by …

Diels-Alder Reactions of 12-Hydroxy-9 (10→ 20)-5aH-abeo-abieta-1 (10), 8 (9), 12 (13)-triene-11, 14-dione

G Majetich, Y Zhang, X Tian, G Zou, Y Li, Y Wang, S Hu… - Molecules, 2013 - mdpi.com
12-Hydroxy-9 (10→ 20)-5aH-abeo-abieta-1 (10), 8 (9), 12 (13)-triene-11, 14-dione (quinone
2) served as the dienophile in numerous intermolecular Diels-Alder reactions. These …