Spiro‐Bridged Ladder‐Type Oligo(para‐phenylene)s: Fine Tuning Solid State Structure and Optical Properties
Sign Up to like & getrecommendations! Published in 2017 at "Advanced Functional Materials"
DOI: 10.1002/adfm.201704077
Abstract: A set of ladder-type quaterphenyls with an incremental number of spiro-bifluorene units in the bridge positions as well as an in-plane bent quaterphenyl carrying all bridges on one and the same side of the ribbon… read more here.
Keywords: solid state; ladder type; state structure;
Solid‐State Structure of a Bromo(difluoromethylenephosphonato)cuprate – a Key Intermediate for the Synthesis of α,α‐Difluoromethylenephosphonates
Sign Up to like & getrecommendations! Published in 2017 at "European Journal of Inorganic Chemistry"
DOI: 10.1002/ejic.201700817
Abstract: Many approaches to introduce the CF2P(O)(OR)2 unit into organic molecules make use of Cu(I) catalysed couplings between organic halides and BrZnCF2P(O)(OR)2. Despite the great importance of this process for the synthesis of α,α-difluoromethylenephosphonates the constitution… read more here.
Keywords: solid state; bromo difluoromethylenephosphonato; state structure; synthesis difluoromethylenephosphonates ... See more keywords
Solid state structure and photophysical properties of monoanionic 2-(2′-hydroxyphenyl)benzimidazole as an anionic core in rhenium complex
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Organometallic Chemistry"
DOI: 10.1016/j.jorganchem.2019.03.013
Abstract: Abstract A monoanionic 2-(2′-phenolate)benzimidazole (HPBI−) stabilized in organometallic complex [Re(CO)2 (dppe)2](HPBI) (1) which was obtained by treating 2-(2′-hydroxyphenyl)benzimidazole (H2–PBI), 1,2-bis(diphenylphosphino)ethane (dppe), and Re2(CO)10, in toluene using a one-pot approach. Solid state structure of complex was… read more here.
Keywords: state structure; photophysical properties; hydroxyphenyl benzimidazole; hpbi ... See more keywords
Unraveling the Ground-State Structure of BaZrO3 by Neutron Scattering Experiments and First-Principles Calculations
Sign Up to like & getrecommendations! Published in 2020 at "Chemistry of Materials"
DOI: 10.1021/acs.chemmater.9b04437
Abstract: The all-inorganic perovskite barium zirconate, BaZrO3, is a widely used material in a range of different technological applications. However, fundamental questions surrounding the crystal structure of BaZrO3, especially in regard to its ground-state structure, remain.… read more here.
Keywords: bazro3; state structure; structure; structure bazro3 ... See more keywords
The Transition-State Structure for Human MAT2A from Isotope Effects.
Sign Up to like & getrecommendations! Published in 2017 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.7b05803
Abstract: Human methionine S-adenosyltransferase (MAT2A) catalyzes the formation of S-adenosylmethionine (SAM) from ATP and methionine. Synthetic lethal genetic analysis has identified MAT2A as an anticancer target in tumor cells lacking expression of 5'-methylthioadenosine phosphorylase (MTAP). Approximately… read more here.
Keywords: state structure; mat2a; transition; transition state ... See more keywords
The solid state structure and environmental polarization effect of a novel asymmetric azine
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DOI: 10.1039/c7nj00618g
Abstract: A broad analysis of a novel azine is reported using single crystal X-ray diffraction and characterization methods (IR, NMR and MS). Additional studies were conducted using density functional theory with the CAM-B3LYP functional and the… read more here.
Keywords: solid state; polarization; azine; effect ... See more keywords
A macrocyclic oligofuran: synthesis, solid state structure and electronic properties† †Electronic supplementary information (ESI) available. CCDC 1892379. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c9sc03247a
Sign Up to like & getrecommendations! Published in 2019 at "Chemical Science"
DOI: 10.1039/c9sc03247a
Abstract: The first π-conjugated macrocyclic system with an oligofuran backbone display planar conformation and forms large π-aggregates, in contrast to the twisted conformation of small macrocyclic oligothiophenes. read more here.
Keywords: solid state; oligofuran synthesis; macrocyclic oligofuran; synthesis solid ... See more keywords
Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives
Sign Up to like & getrecommendations! Published in 2021 at "CrystEngComm"
DOI: 10.1039/d1ce00039j
Abstract: The solid state supramolecular interactions of diketopyrrolopyrrole derivatives (DPPs) and their correlation with thin film optical properties are of particular interest because of the applications of these materials in organic electronics. In this study, we… read more here.
Keywords: state structure; structure properties; properties phenyl; diketopyrrolopyrrole derivatives ... See more keywords
Ground-State Structure of Quaternary Alloys (SiC)1−x (AlN)x and (SiC)1−x (GaN)x
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DOI: 10.3390/mi14020250
Abstract: Despite III-nitride and silicon carbide being the materials of choice for a wide range of applications, theoretical studies on their quaternary alloys are limited. Here, we report a systematic computational study on the electronic structural… read more here.
Keywords: state structure; sic aln; quaternary alloys; aln sic ... See more keywords