Search results for "init"
showing 10 items of 6629 documents
CCDC 995948: Experimental Crystal Structure Determination
2015
Related Article: Maria-Gabriela Alexandru, Diana Visinescu, Marius Andruh, Nadia Marino, Donatella Armentano, Joan Cano, Francesc Lloret, Miguel Julve|2015|Chem.-Eur.J.|21|5429|doi:10.1002/chem.201406088
CCDC 995949: Experimental Crystal Structure Determination
2015
Related Article: Maria-Gabriela Alexandru, Diana Visinescu, Marius Andruh, Nadia Marino, Donatella Armentano, Joan Cano, Francesc Lloret, Miguel Julve|2015|Chem.-Eur.J.|21|5429|doi:10.1002/chem.201406088
CCDC 2047569: Experimental Crystal Structure Determination
2021
Related Article: Eugenia Peresypkina, Kevin Grill, Barbara Hiltl, Alexander V. Virovets, Werner Kremer, Jan Hilgert, Wolfgang Tremel and Manfred Scheer|2021|Angew.Chem.,Int.Ed.|60|12132|doi:10.1002/anie.202103178
Modelowanie metodami ab initio i DFT właściwości spektroskopowych wybranych pochodnych ftalocyjaniny
2017
Odkryte na początku XX wieku ftalocyjaniny to interesująca klasa związków chemicznych. Dzięki obecności cyklicznego polienu spełniającego regułę Huckla struktury chemiczne tych związków są bardzo trwałe, a w pierścieniach benzenowych na obrzeżach tych związków można umieścić podstawniki. Można modyfikować w ten sposób właściwości ftalocyjaniny takie jak rozpuszczalność czy zdolność katalityczną. Jednak najważniejszą cechą tych związków są sprzężone wiązania podwójne, dzięki którym wykazują one absorpcję światła w zakresie widzialnym. Ftalocyjaniny i ich pochodne znajdują zastosowanie między innymi jako barwniki, katalizatory, fotouczulacze, sensory chemiczne i komórki światłoczułe w panelac…
Functionalized Tellurium(II) Thiolates: Tellurium Bis(2-hydroxyethanethiolate) Hydrate, the First H2O–TeII Complex
2000
The Influence of Oxygen Affinity of Blood and Cerebral Blood Flow on Cerebral Oxygen Supply
1969
The quantity of oxygen transported, per unit of time, by the blood to the brain, is determined by the blood flow, the oxygen capacity, and the oxygen affinity of the blood. The O2-exchange between the blood and the tissue cells depends mainly on the oxygen transport characteristics of the blood and the O2 diffusion conditions in the blood and tissue.
Neptunium(V) sorption on kaolinite
2011
Abstract The sorption behavior of neptunium(V) onto the clay mineral kaolinite was studied in batch experiments under different experimental conditions: [Np(V)]=7 × 10−12–8 × 10−6 M, solid-to-liquid ratio 2–20 g L−1, I=0.1 and 0.01 M NaClO4, pH=6–10, ambient air and Ar atmosphere. The short-lived isotope 239Np (T 1/2=2.36 d) was used instead of 237Np (T 1/2=2.14 × 106 a) to study the sorption behavior of Np(V) at environmentally-relevant concentrations, i.e., 7 × 1012 M Np. In addition, 239Np(V) served as tracer to measure sorption isotherms over six orders of magnitude in Np concentration (4.8 × 10−12–1.0 × 10−4 M). The results show that Np(V) sorption on kaolinite is strongly influenced b…
Relationship between Electron Affinity and Half-Wave Reduction Potential: A Theoretical Study on Cyclic Electron-Acceptor Compounds.
2016
A high-level ab initio protocol to compute accurate electron affinities and half-wave reduction potentials is presented and applied for a series of electron-acceptor compounds with potential interest in organic electronics and redox flow batteries. The comprehensive comparison between the theoretical and experimental electron affinities not only proves the reliability of the theoretical G3(MP2) approach employed but also calls into question certain experimental measurements, which need to be revised. By using the thermodynamic cycle for the one-electron attachment reaction A+e- →A- , theoretical estimates for the first half-wave reduction potential have been computed along the series of ele…
Relevance of the Electronegativity of Boron inη5-Coordinating Ligands: Regioselective Monoalkylation and Monoarylation in Cobaltabisdicarbollide[3,3′…
2003
Regioselective monoalkylation and monoarylation in cobaltabisdicarbollide clusters has been achieved starting from Cs[8-I-3,3'-Co(1,2-C 2 B 9 H 1 0 )(1',2'-C 2 B 9 H 1 1 )] by cross-coupling reactions between a B-I fragment andan appropriate Grignard reagent in the presence of a Pd catalyst and CuT. A considerable number of monoalkylated and monoarylated derivatives have been synthesized, which allowed study of the influence of boron in metallocene-type ligands and the effect of alkyl and aryl substituents on boron in boron anionic clusters. Experimental data from UV/ Vis spectroscopy, E 1 / 2 measurements, and X-ray diffraction analysis, and supported by EHMO and ab initio analyses, indica…
Cruciform Electron Acceptors Based on Tetraindeno-Fused Spirofluorene
2017
Two cruciform tetraindenospirofluorene-based acceptors embedding carbonyl (Spiro-4O) and dicyanovinylene (Spiro-8CN) functionalities are synthesized in high yields. Single-crystal X-ray analysis reveals a one-dimensional π–π stacking arrangement for Spiro-4O, while Spiro-8CN adopts a unique two-dimensional isotropic π-interaction. Cyclic voltammetry suggests a high electron affinity of −3.76 eV for Spiro-8CN. Such a packing motif and low LUMO energy for Spiro-8CN are important for bulk electron transport.