Recent advances in β-lactone chemistry

A Pommier, JM Pons - Synthesis, 1993 - thieme-connect.com
After a brief historical survey, the structure, main methods of preparation and reactivity of β-
lactones are examined with emphasis on developments since 1980. The structure of β …

1, 3-Dipolar cycloaddition of nitrone-type dipoles to uncomplexed and metal-bound substrates bearing the CN triple bond

NA Bokach, ML Kuznetsov, VY Kukushkin - Coordination Chemistry …, 2011 - Elsevier
Metal-free and metal-mediated routes for 1, 3-dipolar cycloaddition of nitrone-type dipoles to
substrates bearing the CN triple bond are compared and the reactions are categorized. In 1 …

In-plane aromaticity in 1, 3-dipolar cycloadditions. Solvent effects, selectivity, and nucleus-independent chemical shifts

FP Cossío, I Morao, H Jiao… - Journal of the American …, 1999 - ACS Publications
The aromaticity and the regiochemistry of several 1, 3-dipolar cycloadditions have been
studied computationally. It is found that all the transition structures associated with concerted …

Glossary of terms used in physical organic chemistry (IUPAC Recommendations 2021)

CL Perrin, I Agranat, A Bagno… - Pure and Applied …, 2022 - degruyter.com
This Glossary contains definitions, explanatory notes, and sources for terms used in physical
organic chemistry. Its aim is to provide guidance on the terminology of physical organic …

A computational study of stereospecifity in the thermal elimination reaction of menthyl benzoate in the gas phase

E Velez, J Quijano, R Notario, E Pabon… - Journal of Physical …, 2009 - Wiley Online Library
This paper reports a theoretical study, at the B3LYP/6–31+ G (d, p) and M05‐2X/6–31G+(d,
p) levels, on the thermal decomposition of menthyl benzoate (2‐isopropyl‐5 …

[HTML][HTML] Switching behavior of an actuator containing germanium, silicon-decorated and normal C20 fullerene

SA Siadati, S Rezazadeh - Chemical Review and Letters, 2018 - chemrevlett.com
NANO MACHINES which are of the capital aims of many advancedresearch projects would
contain of complex systems of different devices and actuators that each of them plays a pre …

Lewis Acid-Catalyzed Carbonyl-Ene Reaction: Interplay between Aromaticity, Synchronicity, and Pauli Repulsion

HA Rodríguez, DA Cruz, JI Padrón… - The Journal of Organic …, 2023 - ACS Publications
The physical factors governing the catalysis in Lewis acid-promoted carbonyl-ene reactions
have been explored in detail quantum chemically. It is found that the binding of a Lewis acid …

Origins of the loss of concertedness in pericyclic reactions: Theoretical prediction and direct observation of stepwise mechanisms in [3+ 2] thermal cycloadditions

S Vivanco, B Lecea, A Arrieta, P Prieto… - Journal of the …, 2000 - ACS Publications
Several [3+ 2] thermal cycloadditions between azomethine ylides and nitroalkenes have
been studied both theoretically and experimentally. When the N-metalated 1, 3-dipoles are …

Generation of HO Radical from Hydrogen Peroxide Catalyzed by Aqua Complexes of the Group III Metals [M(H2O)n]3+ (M = Ga, In, Sc, Y, or La): A Theoretical …

AS Novikov, ML Kuznetsov, AJL Pombeiro… - ACS …, 2013 - ACS Publications
The mechanism of the rate-limiting stage of alkanes oxidation with hydrogen peroxide, that
is, formation of the hydroxyl radicals, catalyzed by aqua complexes,[M (H2O) n] 3+(1), of the …

Catalytic and solvent effects on the cycloaddition reaction between ketenes and carbonyl compounds to form 2-oxetanones

B Lecea, A Arrieta, G Roa, JM Ugalde… - Journal of the American …, 1994 - ACS Publications
Ab Initio calculations (MP2/6-31G*//HF/6-31G*, including zero-point vibrational energy
(ZPVE) corrections and solvent effect) predict that the reaction between ketenes and …