Search results for "force"

Low-pressure pyrolysis of tBu2SO: synthesis and IR spectroscopic detection of HSOH.

2005

Sulfenic acid (HSOH, 1) has been synthesized in the gas-phase by low-pressure high-temperature (1150 degrees C) pyrolysis of di-tert-butyl sulfoxide (tBu(2)SO, 2) and characterized by means of matrix isolation and gas-phase IR spectroscopy. High-level coupled-cluster (CC) calculations (CCSD(T)/cc-pVTZ and CCSD(T)/cc-pVQZ) support the first identification of the gas-phase IR spectrum of 1 and enable its spectral characterization. Five of the six vibrational fundamentals of matrix-isolated 1 have been assigned, and its rotational-resolved gas-phase IR spectrum provides additional information on the O-H and S-H stretching fundamentals. Investigations of the pyrolysis reaction by mass spectrome…

Synthesis and characterization of monomeric siloxo palladium(II) complexes: crystal structure of [Pd(tmeda)(C6F5)(OSiPh3)]

2004

Abstract Mononuclear palladium-hydroxo complexes of the type [Pd(N–N)(C6F5)(OH)] [(N–N)=2,2′-bipyridine (bipy), 4,4′-dimethyl-2,2′-bipyridine (Me2bipy), or N,N,N′,N′-tetramethylethylenediamine (tmeda)] react with silanols HOSiR3 in toluene giving the corresponding siloxo complexes [Pd(N–N)(C6F5)(OSiR3)]. The X-ray crystal structure of [Pd(tmeda)(C6F5)(OSiPh3)] has been determined. In one of the two molecules in the asymmetric unit there is an intramolecular interaction by phenyl–pentafluorophenyl π-stacking.

Synthesis of New 8-Arylisoquinoline Derivatives by Application of Palladium-Catalyzed Suzuki Cross-Coupling Reactions.

2005

Abstract New 8-(het)aryltetrahydroisoquinolines ( 10–14 ), 8-aryltetrahydroisoquinolin-4-ols ( 15 , 16 ), and 8-phenylisoquinolin-4-ol ( 17 ), flexible analogues of aporphine, were synthesized in good yields using palladium-catalyzed Suzuki cross-coupling reactions from 8-bromotetrahydroisoquinolin-4-one ( 6 ) as a common intermediate. We also describe the synthesis of this novel intermediate through an easy and efficient method, which involved intramolecular Friedel–Crafts cyclization.

Polycondensed nitrogen heterocycles. Part17. Isoxazolo[4,3-d]pyrazolo[3,4-f][1,2,3]triazepine. A new ring system

1987

The title compounds were prepared by nitration of compounds 2, reduction of the dinitro derivatives 4 and diazotization of the diamino derivatives 6 followed by an intramolecular coupling reaction. Compound 4a showed good activity against Salmonella cholerasuis and Clostridium perfringens bacteria.

Ruthenium and Osmium Complexes of Phosphine-Porphyrin Derivatives as Potential Bimetallic Theranostics: Photophysical Studies

2015

A series of (η6-p-cymene)ruthenium(II)- and osmium(II) complexes of porphyrin-phosphane derivatives have been synthesized as potential bimetallic theranostic candidates. The photophysical and electrochemical properties were investigated, and these species desirably exhibit no or almost no photoinduced intramolecular atom, energy, and electron transfer between the dye and the metallic fragment. These favorable features are mostly associated with the presence of their long chain (i.e., ∼ 1 nm) separating the two functional units. Interestingly, a decrease in emission intensity and lifetimes (up to 35-fold) has been observed, which was ascribed to a small heavy atom effect. This effect is poss…

Nanoscale control in organic bulk heterojunctions of new set of materials for photovoltaic applications

2008

Boramers for Photovoltaic Applications

2008

Dicopper(II) Metallacyclophanes with Electroswitchable Polymethyl-Substitutedpara-Phenylene Spacers

2013

Double-stranded anionic dinuclear copper(II) metallacyclic complexes of the paracyclophane type [Cu2L2]4- have been prepared by the CuII-mediated self-assembly of different para-phenylenebis(oxamato) bridging ligands with either zero-, one-, or four-electron-donating methyl substituents (L=N,N′-para- phenylenebis(oxamate) (ppba; 1), 2-methyl- N,N′-para-phenylenebis(oxamate) (Meppba; 2), and 2,3,5,6-tetramethyl- N,N′-para-phenylenebis(oxamate) (Me4ppba; 3)). These complexes have been isolated as their tetra-n-butylammonium (1 a-3 a), lithium(I) (1 b-3 b), and tetraphenylphosphonium salts (1 c-3 c). The X-ray crystal structures of 1 a and 3 c show a parallel-displaced π-stacked conformation w…

Tuning the electronic properties and the planarity degree in the π-extended TTF series: the prominent role of heteroatoms

2018

The main asset of small molecules for application in organic electronics lies in the tunability of their electronic properties owing to the precise control of their molecular design. Semiconducting properties in organic compounds are for instance closely linked to the molecular planarity degree, including when considering various redox states. Among those species, the π-extended TTF (exTTF: 9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene) presents fascinating redox and structural properties, which have been extensively studied in various fields of organic electronics. Here we show that S-exTTF, a sulfur enriched π-isoelectronic dithieno analogue of pristine exTTF, synthesized through…

Improving the Robustness of Organic Semiconductors through Hydrogen Bonding

2021

Molecular organization plays an essential role in organic semiconductors since it determines the extent of intermolecular interactions that govern the charge transport present in all electronic applications. The benefits of hydrogen bond-directed self-assembly on charge transport properties are demonstrated by comparing two analogous pyrrole-based, fused heptacyclic molecules. The rationally designed synthesis of these materials allows for inducing or preventing hydrogen bonding. Strategically located hydrogen bond donor and acceptor sites control the solid-state arrangement, favoring the supramolecular expansion of the π-conjugated surface and the subsequent π-stacking as proved by X-ray d…