Non-innocent ligand behaviour of a bimetallic Cu complex employing a bridging catecholate
The geometric and electronic structure of a bimetallic Cu Schiff-base complex and its one-
electron oxidized form have been investigated. The two salen units in the neutral complex 1 …
electron oxidized form have been investigated. The two salen units in the neutral complex 1 …
Triazolopyridines. Part 28. The ring–chain isomerization strategy: triazolopyridine-and triazoloquinoline–pyridine based fluorescence ligands
R Ballesteros-Garrido, E Delgado-Pinar, B Abarca… - Tetrahedron, 2012 - Elsevier
The ring–chain isomerization of [1, 2, 3] triazolo [1, 5-a] pyridines or [1, 2, 3] triazolo [1, 5-a]
quinolines has been efficiently employed as a tool to provide tridentate fluorescent …
quinolines has been efficiently employed as a tool to provide tridentate fluorescent …
Speciation of La (III) chloride complexes in water and acetonitrile: a density functional study
Car–Parrinello molecular dynamics (CMPD) simulations and static computations are
reported at the BLYP level of density functional theory (DFT) for mixed [LaCl x (H2O) y …
reported at the BLYP level of density functional theory (DFT) for mixed [LaCl x (H2O) y …
Reactivity of β-amino alcohols against dialkyl oxalate: synthesis and mechanism study in the formation of substituted oxalamide and/or morpholine-2, 3-dione …
ML Testa, E Zaballos, RJ Zaragozá - Tetrahedron, 2012 - Elsevier
The reactivity of various β-amino alcohols with dialkyl oxalates, in several reaction
conditions, has been investigated. Linear disubstituted oxalamides were obtained with …
conditions, has been investigated. Linear disubstituted oxalamides were obtained with …
Non-catalytic approach to the synthesis of partially reduced 'S'shaped dioxathia-and oxadithiahelicenes through base induced inter-and intramolecular C–C bond …
An efficient and convenient route for the construction of helical 'S'shaped dioxathia-and
oxadithiahelicenes with oxygen and sulfur atoms located in the middle of the outer helix has …
oxadithiahelicenes with oxygen and sulfur atoms located in the middle of the outer helix has …
Assessing the reactivation efficacy of hydroxylamine anion towards VX-inhibited AChE: a computational study
Oximate anions are used as potential reactivating agents for OP-inhibited AChE because of
they possess enhanced nucleophilic reactivity due to the α-effect. We have demonstrated …
they possess enhanced nucleophilic reactivity due to the α-effect. We have demonstrated …
Ring splitting of azetidin-2-ones via radical anions
R Pérez-Ruiz, JA Sáez, LR Domingo… - Organic & …, 2012 - pubs.rsc.org
The radical anions of azetidin-2-ones, generated by UV-irradiation in the presence of
triethylamine, undergo ring-splitting via N–C4 or C3–C4 bond breaking, leading to open …
triethylamine, undergo ring-splitting via N–C4 or C3–C4 bond breaking, leading to open …
Oxetane ring enlargement through nucleophilic trapping of radical cations by acetonitrile
Oxidative electron transfer cycloreversion of trans, trans-2-cyclopropyl-4-methyl-3-
phenyloxetane, using triphenylthiapyrylium perchlorate as a photosensitizer, leads to …
phenyloxetane, using triphenylthiapyrylium perchlorate as a photosensitizer, leads to …
A carbanion induced ring switching synthesis of spiranes: an unprecedented approach
An unique approach to the synthesis of heterocyclic spiranes through ring switching
transformation of suitably functionalized 2H-pyran-2-ones, benzo [h] chromene and …
transformation of suitably functionalized 2H-pyran-2-ones, benzo [h] chromene and …
1H NMR, Electron Paramagnetic Resonance, and Density Functional Theory Study of Dinuclear Pentaammineruthenium Dicyanamidobenzene Complexes
ML Naklicki, SI Gorelsky, W Kaim, B Sarkar… - Inorganic …, 2012 - ACS Publications
Paramagnetic 1H NMR and electron paramagnetic resonance (EPR) spectroscopies and
density functional theory (DFT) spin density calculations were selectively performed on the …
density functional theory (DFT) spin density calculations were selectively performed on the …