All Outputs (103)

Assignment of the vibrations of the S0, S1, and D+0 states of perhydrogenated and perdeuterated isotopologues of chlorobenzene (2015)
Journal Article

We report vibrationally resolved spectra of the S1 ? S0 transition of chlorobenzene using resonance-enhanced multiphoton ionization spectroscopy. We study chlorobenzene-h5 as well as its perdeuterated isotopologue, chlorobenzene-d5. Changes in the fo... Read More about Assignment of the vibrations of the S0, S1, and D+0 states of perhydrogenated and perdeuterated isotopologues of chlorobenzene.

van der Waals-induced chromatic shifts in hydrogen-bonded two-dimensional porphyrin arrays on boron nitride (2015)
Journal Article

The fluorescence of a two-dimensional supramolecular network of 5,10,15,20-tetrakis(4-carboxylphenyl)porphyrin (TCPP) adsorbed on hexagonal boron nitride (hBN) is red shifted due to, primarily, adsorbate–substrate van der Waals interactions. TCPP is... Read More about van der Waals-induced chromatic shifts in hydrogen-bonded two-dimensional porphyrin arrays on boron nitride.

Nanostructured TTT(TCNQ)2 organic crystals as promising thermoelectric n-type materials: 3D modeling (2015)
Journal Article

Thermoelectric properties of quasi-one-dimensional TTT(TCNQ)2 organic crystals are investigated in order to appreciate the prospect of using this compound as n–type thermoelectric material. A more complete three-dimensional (3D) physical model is ela... Read More about Nanostructured TTT(TCNQ)2 organic crystals as promising thermoelectric n-type materials: 3D modeling.

Diagenesis of phosphatic hardgrounds in the Monterey Formation: a perspective from bulk and clumped isotope geochemistry (2015)
Journal Article

Understanding the authigenesis of carbonate fluorapatite through isotopic geochemistry can yield important information on fundamental geologic processes occurring on continental margins around the world. This is particularly true for phosphatic hardg... Read More about Diagenesis of phosphatic hardgrounds in the Monterey Formation: a perspective from bulk and clumped isotope geochemistry.

New biomaterials from renewable resources – amphiphilic block copolymers from δ-decalactone (2015)
Journal Article

One-pot Cannizzaro cascade synthesis of ortho-Fused Cycloocta-2,5-dien-1-ones from 2-Bromo(hetero)aryl aldehydes (2015)
Journal Article

An intramolecular Cannizzaro-type hydride transfer to an in situ prepared allene enables the synthesis of orthofused 4-substituted cycloocta-2,5-dien-1-ones with unprecedented technical ease for an eight-ring carboannulation. Various derivatives coul... Read More about One-pot Cannizzaro cascade synthesis of ortho-Fused Cycloocta-2,5-dien-1-ones from 2-Bromo(hetero)aryl aldehydes.

Spontaneous Dehydrocoupling in Peri-Substituted Phosphine-Borane Adducts (2015)
Journal Article

Comparison of rhenium–porphyrin dyads for CO₂ photoreduction: photocatalytic studies and charge separation dynamics studied by time-resolved IR spectroscopy (2015)
Journal Article

We report a study of the photocatalytic reduction of CO₂ to CO by zinc porphyrins covalently linked to [ReI(2,2′-bipyridine)(CO)₃L]⁺/⁰ moieties with visible light of wavelength >520 nm. Dyad 1 contains an amide C₆H₄NHC(O) link from porphyrin to bipyr... Read More about Comparison of rhenium–porphyrin dyads for CO₂ photoreduction: photocatalytic studies and charge separation dynamics studied by time-resolved IR spectroscopy.

Generalized mechanochemical synthesis of biomass-derived sustainable carbons for high performance CO2 storage (2015)
Journal Article

Current Density Functional Theory Using Meta-Generalized Gradient Exchange-Correlation Functionals (2015)
Journal Article

The transcriptome of Euglena gracilis reveals unexpected metabolic capabilities for carbohydrate and natural product biochemistry (2015)
Journal Article

Euglena gracilis is a highly complex alga belonging to the green plant line that shows characteristics of both plants and animals, while in evolutionary terms it is most closely related to the protozoan parasites Trypanosoma and Leishmania. This well... Read More about The transcriptome of Euglena gracilis reveals unexpected metabolic capabilities for carbohydrate and natural product biochemistry.

Switching on elusive organometallic mechanisms with photoredox catalysis (2015)
Journal Article

Transition-metal-catalysed cross-coupling reactions have become one of the most used carbon–carbon and carbon–heteroatom bond-forming reactions in chemical synthesis. Recently, nickel catalysis has been shown to participate in a wide variety of C−C b... Read More about Switching on elusive organometallic mechanisms with photoredox catalysis.

Post-assembly Modification of Tetrazine-Edged FeII4L6 Tetrahedra (2015)
Journal Article

Post-assembly modification (PAM) is a powerful tool for the modular functionalization of self-assembled structures. We report a new family of tetrazine-edged FeII4L6 tetrahedral cages, prepared using different aniline subcomponents, which undergo rap... Read More about Post-assembly Modification of Tetrazine-Edged FeII4L6 Tetrahedra.

Hygrothermal simulation-informed design of mesoporous desiccants for optimised energy efficiency of mixed mode air conditioning systems (2015)
Journal Article

© The Royal Society of Chemistry. This paper describes an optimization technique using hygrothermal numerical modelling to determine an ideal and unknown isotherm in order to inform the design of optimised mesoporous desiccants. Their suitability for... Read More about Hygrothermal simulation-informed design of mesoporous desiccants for optimised energy efficiency of mixed mode air conditioning systems.

Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives (2015)
Journal Article

Cross-Coupling of [2-Aryl-1,1,2,2-tetrafluoroethyl](trimethyl)silanes with Aryl Halides (2015)
Journal Article

The synthesis of arylCF2CF2SiMe3 and their reactivity in cross-coupling reactions with aryl iodides and aryl bromides to afford a range of 1,1,2,2-tetrafluoro-1,2-arylethanes is reported. The use of pyridine as an alternative to phenanthroline, and t... Read More about Cross-Coupling of [2-Aryl-1,1,2,2-tetrafluoroethyl](trimethyl)silanes with Aryl Halides.

New furocarbazole alkaloids from Lonicera quinquelocularis (2015)
Journal Article

Two new furocarbazole alkaloids, 3-formyl-6,7-dimethoxy-furo[1,2]carbazole (1) and methyl-6,7-dimethoxy-furo[1,2]carbazole-3-carboxylate (2), along with two known carbazole alkaloids, 3-formyl-2-hydroxy-7-methoxycarbazole (3) and methyl 2,7-dimethoxy... Read More about New furocarbazole alkaloids from Lonicera quinquelocularis.

Facile access to a heterocyclic, sp3-rich chemical scaffold via a tandem condensation/intramolecular nitrone–alkene [3+2] cycloaddition strategy (2015)
Journal Article

A heterocyclic, sp3-rich chemical scaffold was synthesised in just 6 steps via a highly regio- and diastereo-selective tandem nitrone formation/intramolecular nitrone–alkene [3+2] cycloaddition reaction. A library of 543 lead-like compounds based on... Read More about Facile access to a heterocyclic, sp3-rich chemical scaffold via a tandem condensation/intramolecular nitrone–alkene [3+2] cycloaddition strategy.

Interaction potentials, spectroscopy and transport properties of C+(2PJ) and C+(4PJ) with helium (2015)
Journal Article

We calculate accurate interatomic potentials for the interaction of a singly-charged carbon cation with a helium atom. We employ the RCCSD(T) method, and basis sets of quadruple-zeta and quintuple-zeta quality; each point is counterpoise corrected an... Read More about Interaction potentials, spectroscopy and transport properties of C+(2PJ) and C+(4PJ) with helium.

A miniaturized electrochemical assay for homocysteine using screen-printed electrodes with cytochrome c anchored gold nanoparticles (2015)
Journal Article

Determination of homocysteine (HcySH) is highly beneficial in human physiology and pathophysiology for diagnosis and prognosis of cardiovascular diseases (CVD). Unfortunately, the practicability of the existing methodologies for the determination of... Read More about A miniaturized electrochemical assay for homocysteine using screen-printed electrodes with cytochrome c anchored gold nanoparticles.