Recent advances and perspectives in transition metal‐catalyzed 1, 4‐functionalizations of unactivated 1, 3‐enynes for the synthesis of allenes

L Fu, S Greßies, P Chen, G Liu - Chinese Journal of Chemistry, 2020 - Wiley Online Library
Recent Advances and Perspectives in Transition Metal‐Catalyzed 1,4‐Functionalizations of
Unactivated 1,3‐Enynes for the Synthesis of Allenes - Fu - 2020 - Chinese Journal of Chemistry …

Divergent Synthesis of CF3‐Substituted Allenyl Nitriles by Ligand‐Controlled Radical 1,2‐ and 1,4‐Addition to 1,3‐Enynes

F Wang, D Wang, Y Zhou, L Liang, R Lu… - Angewandte Chemie …, 2018 - Wiley Online Library
A ligand‐controlled system that enables regioselective trifluoromethylcyanation of 1, 3‐
enynes has been identified, which provides access to a variety of CF3‐containing tri‐and …

The Semiexperimental Approach at Work: Equilibrium Structure of Radical Species

S Alessandrini, M Melosso, L Bizzocchi… - The Journal of …, 2024 - ACS Publications
The so-called semiexperimental (SE) approach is a powerful technique for obtaining highly
accurate equilibrium structures for isolated systems. This Featured Article describes its …

Direct detection of products from the pyrolysis of 2-phenethyl phenyl ether

MW Jarvis, JW Daily, HH Carstensen… - The Journal of …, 2011 - ACS Publications
The pyrolysis of 2-phenethyl phenyl ether (PPE, C6H5C2H4OC6H5) in a hyperthermal
nozzle (300− 1350° C) was studied to determine the importance of concerted and homolytic …

Simple (r) algebraic equation for transition moments of fundamental transitions in vibrational second-order perturbation theory

J Vázquez, JF Stanton - Molecular Physics, 2006 - Taylor & Francis
Rayleigh–Schrödinger perturbation theory is applied in second order to obtain an
expression for the transition moment of vibrational fundamentals. The reported equation is …

Radical chemistry in the thermal decomposition of anisole and deuterated anisoles: an investigation of aromatic growth

AM Scheer, C Mukarakate, DJ Robichaud… - The Journal of …, 2010 - ACS Publications
The pyrolyses of anisole (C6H5OCH3), d3-anisole (C6H5OCD3), and d8-anisole
(C6D5OCD3) have been studied using a hyperthermal tubular reactor and photoionization …

Calculation of fundamental frequencies for small polyatomic molecules: a comparison between correlation consistent and atomic natural orbital basis sets

L McCaslin, J Stanton - Molecular Physics, 2013 - Taylor & Francis
The performance of the NASA Ames atomic natural orbital (ANO) basis sets for calculating
fundamental vibrational frequencies is examined, using the CCSD (T) treatment of electron …

Thermal decomposition of furan generates propargyl radicals

AG Vasiliou, MR Nimlos, JW Daily… - The Journal of Physical …, 2009 - ACS Publications
The thermal decomposition of furan has been studied by a 1 mm× 2 cm tubular silicon
carbide reactor, C4H4O+ Δ→ products. Unlike previous studies, these experiments are able …

Unimolecular thermal decomposition of phenol and d5-phenol: Direct observation of cyclopentadiene formation via cyclohexadienone

AM Scheer, C Mukarakate, DJ Robichaud… - The Journal of …, 2012 - pubs.aip.org
The pyrolyses of phenol and d 5-phenol (C 6 H 5 OH and C 6 D 5 OH) have been studied
using a high temperature, microtubular (μtubular) SiC reactor. Product detection is via both …

[HTML][HTML] The thermal decomposition of the benzyl radical in a heated micro-reactor. I. Experimental findings

GT Buckingham, TK Ormond, JP Porterfield… - The Journal of …, 2015 - pubs.aip.org
The pyrolysis of the benzyl radical has been studied in a set of heated micro-reactors. A
combination of photoionization mass spectrometry (PIMS) and matrix isolation infrared (IR) …