Chemistry (Scholarly Publications): Recent submissions
Now showing items 641-660 of 931
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A structurally versatile coordination polymer: demonstrating spontaneous resolution, conformational polymorphism and gel formation
(2013)Conformationally flexible C2-symmetric 2-(2?-cyanophenoxy) benzonitrile (O,O-CPBN) was self-assembled using silver ions into spontaneously resolved, helical and coordination polymer gel structures including unprecedented ... -
Visible light-harvesting trans bis(alkylphosphine) platinum(II)-alkynyl complexes showing long-lived triplet excited states as triplet photosensitizers for triplet-triplet annihilation upconversion
(2013)Symmetric and asymmetric linear trans-bis(tributylphosphine) Pt(II) bis(acetylide) complexes with functionalized aryl alkynyl ligands (coumarin, naphthalimide and phenyl acetylides) were prepared, which show enhanced ... -
Photochemical [2 + 2] cycloaddition reactions of 6-alkenyl-3-phenylcyclohex-2-en-1-ones: using biradical conformation control to account for exceptions to the "rule of five"
(2011)A series of 6-alkenyl-3-phenylcyclohex-2-enones has been synthesised and the structures of the products obtained from them on irradiation have been determined. The 6-propenyl compounds afforded a tricyclic `parallel? [2 + ... -
Substituted Pyridazines As Ligands In Homoleptic (fac and mer) and Heteroleptic Ru(II) Complexes
(2011)This article reports the preparation of a range of phenyl, pyridyl and pyrazinyl substituted pyridazinesvia the inverse electron demand [2 + 4] Diels?Alder reaction between 3,6-di(2-pyridyl)-1,2,4,5-tetrazines (bptz) and ... -
Tricarbonyl (h6-pyridine)chromium (0)
(1994)The molecular structure of tricarbonyl(rl6-pyridine) - chromium(0), [Cr(CO)3(C5H5N)], is presented here. The Cr atom is bound to the pyridine ring via the 7r-electron system and is situated dir ... -
Boride cluster fusion via an M4-unit (M=Cu, Ag): molecular structure of [PPN][{Ru4H(CO)12B}2Cu4(m-Cl)][Cl]
(1992)The reaction of [ppn][Ru4H(CO)12BH] with [Cu(MeCN)4][BF4] in the presence of [ppn][Cl] yields [ppn][{Ru4H(CO)12B}2-Cu4(?-Cl)][Cl], which has been structurally characterised; the introduction of silver in place of copper ... -
Cu3MCh3 (M = Sb, Bi; Ch = S, Se) as candidate solar cell absorbers: Insights from theory
(2013)As the thin film photovoltaic sector continues to expand, there is an emerging need to base these technologies on abundant, low cost materials in place of the expensive, rare, or toxic elements such as Te, In, or Cd that ... -
Convergence of density and hybrid functional defect calculations for compound semiconductors
(2013)Recent revisions of defect formation energy calculations based on bandgap corrected hybrid functionals have raised concerns about the validity of earlier results based on standard density functionals and about the reliability ... -
Band gap engineering of In2O3 by alloying with Tl2O3
(2013)Efficient modulation of the bandgap of In 2 O 3 will open up a route to improved electronic properties. We demonstrate using ab initio calculations that Tl incorporation into In 2 O 3 reduces the band gap and ... -
Understanding the defect chemistry of tin monoxide
(2013)Tin monoxide has garnered a great deal attention in the recent literature, primarily as a transparent p-type conductor. However, due to its layered structure (dictated by non-bonding dispersion forces) simulation via density ... -
Energy-band alignment of II-VI/Zn3P2 heterojunctions from x-ray photoemission spectroscopy
(2013)The energy-band alignments for zb-ZnSe(001)/ a -Zn 3 P 2 (001), w-CdS(0001)/ a -Zn 3 P 2 (001), and w-ZnO(0001)/ a -Zn 3 P 2 (001) heterojunctions have been determined using high-resolution x-ray photoelectron ... -
Harnessing Self-Assembly Strategies for The Rational Design of Conjugated Polymer Based Materials.
(2013)Targeted control of the aggregation, morphology and optoelectronic properties of conjugated polymers is critical for the development of high performance optoelectronic devices. In this Highlight, recent advances in the use ... -
Engineering the electronic structure of surface dangling bond nanowires of different size and dimensionality
(2013)We demonstrate how the local density of electronic states evolves as the size and dimensionality of surface dangling bond nanowires are modified. These wires were fabricated using the probe of a scanning tunneling microscope ... -
Pyridin-2-yl Guanidine Derivatives: Conformational Control Induced by Intramolecular Hydrogen-Bonding Interactions.
(2011)The synthesis and conformational analysis of a series of pyridin-2-yl guanidine derivatives using NMR, X-ray crystallography and B3LYP/6-31+G** theoretical studies are reported. A remarkable difference was observed in ... -
Synthesis of ferrocenyl porphyrins via Suzuki coupling and their photophysical properties
(2011)In order to improve the synthetic access to ferrocene porphyrin type electron transfer compounds meso-ferrocenyl appended porphyrins and bisporphyrins were prepared using Suzuki coupling reactions of borylated porphyrins ... -
Efficient synthesis of 6-nitro-1,2,3,4-tetrahydroquinoline: an experimental and theoretical study of regioselective nitration
(2011)A revision of the literature on the nitration of tetrahydroquinolines yielded a number of inconsistencies. Thus, we have carried out a thorough study on the nitration of tetrahydroquinoline and some of its N-protected ... -
Asymmetrical Diaromatic Guanidinium/2-Aminoimidazolinium Derivatives: Synthesis and DNA Affinity
(2009)In this paper we report the synthesis of three families of new amidine?based aromatic derivatives as potential DNA minor groove binding agents for the treatment of cancer. The preparation of mono?guanidine, mono?2?aminoimidazoline ... -
Syntheses of 2-amino-4,6-dichloro-5-nitropyrimidine and 2-amino-4,5,6-trichloropyrimidine: an unusual aromatic substitution
(2009)2-Amino-4,6-dichloro-5-nitropyrimidine is an intermediate required for the preparation of nitropyrimidines as inactivators of the DNA repairing protein MGMT. When attempting its synthesis 2-amino-4,5,6-trichloropyrimidine ... -
Improving antidepressant drugs: update on recently patented compounds
(2009)Background: According to the World Health Organization, depression is a common condition that affects about 121 million people worldwide. Although the pathophysiological origin of this condition is still unknown, most of ... -
High-yield production of graphene by liquid-phase exfoliation of graphite
(2008)Graphene is at the centre of nanotechnology research. In order to fully exploit its outstanding properties, a mass production method is necessary. Two main routes are possible: large-scale growth or large-scale exfoliation. ...
