Atom (system on chip)

Synthesis and Theoretical Studies of Aromatic Azaborines

Pipsa Hirva, Petri Turhanen & Juri M. Timonen · Organics · 2022

Organoboron compounds are well known for their use as synthetic building blocks in several significant reactions, e.g., palladium-catalyzed Suzuki-Miyaura cross-coupling. As an element, boron is fascinating; as part of a molecule it structurally resembles a three-valent atom, but...

Open access Research Article 10.3390/org3030016

On the Mechanism of the Synthesis of Nitrofunctionalised Δ2-Pyrazolines via [3+2] Cycloaddition Reactions between α-EWG-Activated Nitroethenes and Nitrylimine TAC Systems

Agnieszka Fryźlewicz, Aleksandra Olszewska, Karolina Zawadzińska, Przemysław Woliński, Karolina Kula, Agnieszka Kącka-Zych, Agnieszka Łapczuk-Krygier & Radomir Jasiński · Organics · 2022

We investigated the reactivity of different substituted nitrylimine-type three atom components (TACs) in [3+2] cycloaddition (32CAs) reactions with electrophilically activated nitroethenes within molecular electron density theory (MEDT). In parallel research, the molecular mechan...

Open access Research Article 10.3390/org3010004

Understanding the Origin of the Regioselectivity in Non-Polar [3+2] Cycloaddition Reactions through the Molecular Electron Density Theory

Luis Domingo, Mar Ríos Gutiérrez & Jorge Castellanos Soriano · Organics · 2020

The regioselectivity in non-polar [3+2] cycloaddition (32CA) reactions has been studied within the Molecular Electron Density Theory (MEDT) at the B3LYP/6-311G(d,p) level. To this end, the 32CA reactions of nine simplest three-atom-components (TACs) with 2-methylpropene were sele...

Open access Research Article 10.3390/org1010003