Synthesis and characterization of β,β’-dimethylated dithieno[3,2-b:2’,3’-d]pyrroles and their corresponding regioregular conducting electropolymers

2021 ◽  
Author(s):  
Peter Baeuerle ◽  
Sebastian Foertsch ◽  
Elena Mena-Osteritz
Keyword(s):  
Conducting Polymers ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Building Blocks ◽  
Synthesis And Characterization ◽  
Organic Electronic ◽  
Functional Dyes

β,β’-Dimethyl-substituted dithieno[3,2-b:2’,3’-d]pyrroles (Me-DTP) 2-7 represent novel electron-rich building blocks, which were converted to corresponding conducting polymers p(Me-DTP) and to functional dyes for organic electronic applications. Supported by quantum chemical calculations,...

scholarly journals Some insights into the reactivity of oxovanadium phosphate: Synthesis and characterization of an VOPO4-H2N(CH2)3NH2 coordination compound

2005 ◽  
Vol 70 (11) ◽  
pp. 1283-1290 ◽  
Author(s):  
Farias de ◽  
Claudio Airoldi
Keyword(s):  
Quantum Chemical Calculations ◽  
Coordination Compound ◽  
Elemental Analysis ◽  
Host Species ◽  
Quantum Chemical ◽  
Synthesis And Characterization ◽  
X Ray Diffraction ◽  
X Ray ◽  
Diffraction Patterns

The lamellar matrix of VOPO4?2H2O was used as the host species to prepare a VOPO4-1,3-diaminopropane coordination compound. The oxovanadium matrix and the synthesized hybrid were characterized by elemental analysis, infared spectroscopy, thermogravimetry, X-ray diffractometry and SEM microscopy. The elemental analysis results, as well as the X-ray diffraction patterns and quantum chemical calculations, strongly suggest that the synthesized matrix is an equimolar (1:1) mixture of two compounds with the formulas VOPO4?[H 2N-(CH2)3-NH2] and VOPO4?[H2N-(CH2)3-NH2]0.5. The SEM micrographs obtained for the VOPO4- diaminopropane hybrid matrix show that the microstructure of VOPO4?2H2O is changed after reaction, with an overall exfoliation of the oxovanadium matrix.

The Protonation of Dithiocarbamic Acid in Superacids HF/MF5: Synthesis and Characterization of H2NC(SH)2 + MF6– (M = As, Sb)

2012 ◽  
Vol 67 (12) ◽  
pp. 1235-1240 ◽  
Author(s):  
Joachim Axhausen ◽  
Geraldine Rühl ◽  
Andreas Kornath
Keyword(s):  
Raman Spectroscopy ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Inert Gas ◽  
Synthesis And Characterization ◽  
Vibrational Modes ◽  
Gas Atmosphere ◽  
Dithiocarbamic Acid ◽  
Ir And Raman

Dithiocarbamic acid reacts in the superacidic media HF/MF5 (M = As, Sb) under formation of the corresponding salts H2NC(SH)2+ MF6-. The colorless compounds are stable in an inert gas atmosphere up to -20 °C. The salts have been characterized by NMR, IR and Raman spectroscopy. Reactions in DF/AsF5 were carried out to obtain D2NC(SD)2+ AsF6- in order to confirm the assignments of the observed vibrational modes. Additionally, quantum-chemical calculations of the free cation, [A2NC(SA)2]+ (A=H, D), and of the [A2NC(SA)2(3HF)]+ unit on the PBE1BPE/6-311G(3df,3pd) level of theory are discussed.

Conjugated oligomers incorporating azulene building blocks – seven- vs. five-membered ring connectivity

2014 ◽  
Vol 5 (11) ◽  
pp. 4483-4489 ◽  
Author(s):  
Elizabeth Amir ◽  
Masahito Murai ◽  
Roey J. Amir ◽  
John S. Cowart ◽  
Michael L. Chabinyc ◽  
...  
Keyword(s):  
Building Blocks ◽  
Membered Ring ◽  
Synthesis And Characterization ◽  
Conjugated Oligomers

The properties of isomeric azulene derivatives based on 7- versus 5-membered ring substitution were examined by the synthesis and characterization of well-defined electroactive oligomers.

scholarly journals Recent Progress in the Synthesis and Characterization of Diarylethene-based MOFs

2014 ◽  
Vol 70 (a1) ◽  
pp. C1223-C1223
Author(s):  
Jason Benedict ◽  
Ian Walton ◽  
Dan Patel ◽  
Jordan Cox
Keyword(s):  
Chemical Properties ◽  
Building Blocks ◽  
Synthesis And Characterization ◽  
Next Generation ◽  
Design Synthesis ◽  
Thermally Induced ◽  
Potential Applications ◽  
External Stimuli ◽  
Physical And Chemical

Metal-organic Frameworks (MOFs) remain an extremely active area of research given the wide variety of potential applications and the enormous diversity of structures that can be created from their constituent building blocks. While MOFs are typically employed as passive materials, next-generation materials will exhibit structural and/or electronic changes in response to applied external stimuli including light, charge, and pH. Herein we present recent results in which advanced photochromic diarylethenes are combined with MOFs through covalent and non-covalent methods to create photo-responsive permanently porous crystalline materials. This presentation will describe the design, synthesis, and characterization of next-generation photo-switchable diarylethene based ligands which are subsequently used to photo-responsive MOFs. These UBMOF crystals are, by design, isostructural with previously reported non-photoresponsive frameworks which enables a systematic comparison of their physical and chemical properties. While the photoswitching of the isolated ligand in solution is fully reversible, the cycloreversion reaction is suppressed in the UBMOF single crystalline phase. Spectroscopic evidence for thermally induced cycloreversion will be presented, as well as a detailed analysis addressing the limits of X-ray diffraction techniques applied to these systems.

scholarly journals What’s in an Atom? a Comparison of Carbon and Silicon-Centered Amidinium···carboxylate Frameworks

2020 ◽  
Author(s):  
Stephanie Boer ◽  
Li-Juan Yu ◽  
Tobias Genet ◽  
Kaycee Low ◽  
Duncan Cullen ◽  
...  
Keyword(s):  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Building Blocks ◽  
Cambridge Structural Database ◽  
Bond Angles ◽  
Framework Materials ◽  
Carboxylate Anions ◽  
Tetrahedral Bond ◽  
Structural Database ◽  
Apparent Similarity

<div><div><div><p>Despite their apparent similarity, framework materials based on tetraphenylmethane and tetraphenylsilane building blocks often have quite different structures and topologies. Herein, we describe a new silicon tetraamidinium compound and use it to prepare crystalline hydrogen bonded frameworks with carboxylate anions in water. The silicon-containing frameworks are compared with those prepared from the analogous carbon tetraamidinium: when biphenyldicarboxylate or tetrakis(4-carboxyphenyl)methane anions were used similar channel-containing networks are observed for both the silicon and carbon tetraamidinium. When terephthalate or bicarbonate anions were used, different products form. Insights into possible reasons for the different products are provided by a survey of the Cambridge Structural Database and quantum chemical calculations, both of which indicate that, contrary to expectations, tetraphenylsilane derivatives have less geometrical flexibility than tetraphenylmethane derivatives, i.e. they are less able to distort away from ideal tetrahedral bond angles.</p></div></div></div>

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