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76,615 Newest Publications about the topic chemistry

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Evidence of single electron transfer from the enolate anion of an N,N[prime or minute]-dialkyldiketopiperazine additive in BHAS coupling reactions

20-Jan-2018 | Katie J. Emery; Tell Tuttle; John A. Murphy, Organic & Biomolecular Chemistry, 2018

A designed N,N′-dialkyldiketopiperazine (DKP) provides evidence for the role of DKP additives as initiators that act by electron transfer in base-induced homolytic aromatic substitution reactions, involving coupling of haloarenes to arenes. Mechanistic Aspects of Organic ...

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Evidence of single electron transfer from the enolate anion of an N,N[prime or minute]-dialkyldiketopiperazine additive in BHAS coupling reactions

20-Jan-2018 | Katie J. Emery; Tell Tuttle; John A. Murphy, Organic & Biomolecular Chemistry, 2018

A designed N,N′-dialkyldiketopiperazine (DKP) provides evidence for the role of DKP additives as initiators that act by electron transfer in base-induced homolytic aromatic substitution reactions, involving coupling of haloarenes to arenes. Mechanistic Aspects of Organic ...

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Excited-states of a rhenium carbonyl diimine complex: solvation models, spin–orbit coupling, and vibrational sampling effects

19-Jan-2018 | Sebastian Mai; Hugo Gattuso; Maria Fumanal; Aurora Muñoz-Losa; Antonio Monari; Chantal Daniel; Leticia Gonz ..., Physical Chemistry Chemical Physics, 2018

We present a quantum-chemical investigation of the excited states of the complex [Re(CO)3(Im)(Phen)]+ (Im = imidazole; Phen = 1,10-phenanthroline) in solution including spin–orbit couplings and vibrational sampling. To this aim, we implemented electrostatic embedding quantum mechanics/molecular ...

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Highly active group 11 metal complexes with [small alpha]-hydrazidophosphonate ligands

19-Jan-2018 | Daniel Salvador-Gil; Lourdes Ortego; Raquel P. Herrera; Isabel Marzo; M. Concepción Gimeno, Dalton Transactions, 2018

α-Hydrazidophosphonates are interesting scaffolds that could combine the biological properties of hydrazones and phosphonyl species, and their coordination properties remain unknown. The coordination chemistry of these ligands towards group 11 metals has been studied. A series of novel gold(i), ...

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Two-photon spectroscopy of tungsten(0) arylisocyanides using nanosecond-pulsed excitation

19-Jan-2018 | Kana Takematsu; Sara A. M. Wehlin; Wesley Sattler; Jay R. Winkler; Harry B. Gray, Dalton Transactions, 2018

The two-photon absorption (TPA) cross sections (δ) for tungsten(0) arylisocyanides (W(CNAr)6) were determined in the 800–1000 nm region using two-photon luminescence (TPL) spectroscopy. The complexes have high TPA cross sections, in the range 1000–2000 GM at 811.8 nm. In comparison, the cross ...

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Density functional theory modeling of C–Au chemical bond formation in gold implanted polyethylene

19-Jan-2018 | Andrej Antušek; Martin Blaško; Miroslav Urban; Pavol Noga; Danilo Kisić; Miloš Nenadović; Davor Lončarević; Zlatko R ..., Physical Chemistry Chemical Physics, 2018

We have studied processes of gold ion implantation in polyethylene (PE) by theoretical chemistry methods. Car–Parrinello molecular dynamics (CPMD) simulations of collisions and following chemical kinetics considerations lead to the conclusion that chemical bonds between gold atoms and PE chains ...

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The chemistry of titanium-based metal–organic frameworks

19-Jan-2018 | Ha L. Nguyen, New Journal of Chemistry, 2018

Due to the many potential applications of metal–organic frameworks (MOFs), research focusing on the design, syntheses, and surface modifications of the new generation of crystalline-based MOF materials has recently received much attention. Among these materials, MOFs based on Ti–oxo clusters are ...

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Asymmetric cross-coupling of alkyl, alkenyl and (hetero)aryl nucleophiles with racemic allyl halides

19-Jan-2018 | Philipp Schäfer; Mireia Sidera; Thomas Palacin; Stephen P. Fletcher, Chemical Communication, 2018

Single enantiomer molecules are important for the pharmaceutical and agrochemical industries and increasingly so in materials science. Most strategies to obtain enantiomerically enriched molecules rely on either generating new stereogenic centres from prochiral substrates or resolving racemic ...

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Mechanisms for C(sp2)–Si activation of aryltrimethylsilyl groups in palladium-catalysed couplings

19-Jan-2018 | Waqar Rauf; John M. Brown, Organic & Biomolecular Chemistry, 2018

Silyl-substituted aromatic compounds can participate as the electrophilic component in palladium-catalysed cross-couplings, and reactivity is enhanced by a neighbouring silyl-group. Products analogous to those obtained from C–H activation chemistry are accessible by this means with the additional ...

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Sydnone–alkyne cycloaddition: applications in synthesis and bioconjugation

19-Jan-2018 | Elodie Decuypère; Lucie Plougastel; Davide Audisio; Frédéric Taran, Chemical Communication, 2018

Sydnones are among the most popular mesoionic compounds studied so far for cycloaddition reactions. However, despite their good chemical stability and versatility, only a limited number of research groups have worked on their chemistry and use in organic synthesis. This feature article aims at ...

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