123640-38-0Relevant articles and documents
New energetic Silver(I) complexes with Nnn type Pyrazolylpyridine ligands and oxidizing anions
Atakol, Arda,Atakol, Orhan,Dal, Hakan,Naz?r, Hasan,Svoboda, Ingrid
, (2020)
The high energy complexes [Ag (pp) (NO3)] (I), [Ag (dmpp) (NO3)] (II), [Ag (pp)ClO3)] (III), [Ag (dmpp) (ClO3)] (IV), [Ag (pp) (ClO4)] (V), [Ag (dmpp) (ClO4)] (VI) were synthesized from the ligands, Bis-2,6(Pyrazol-1-yl)Pyridine (pp) and Bis-2,6 (3,5-dimethylpyrazol-1-yl)Pyridine (dmpp). They were characterized via IR spectroscopy and elemental analysis. Suitable single crystals of complexes I, IV and VI have been obtained and their molecular structures were determined by X-Ray diffraction methods. The X-Ray study revealed that these complexes were di-nuclear. All complexes have been analyzed by TG-DTA. It was determined that they decompose exothermically in explosive reactions. Elevation in the thermal decomposition temperature, enthalpy of reaction and mass loss was observed with increasing number of oxygens within the anion in the complex structure. The HOMO and LUMO energy levels of the complexes, together with the theoretical formation enthalpies, were calculated by using Gaussian 09 software package whereas the enthalpies of thermal decomposition were measured by DSC. The products of decomposition were predicted from the theoretical formation enthalpy and the measured heat of reaction values according to Hess’ law. It was observed that the thermogravimetry plots of complexes I, II and VI were suitable for thermo-kinetics investigation. Thus, they were analyzed by means of isothermal (Coats-Redfern) and non-isothermal-isoconvertional (Flyn-Ozawa-Wall and Kissinger-Akahira-Sunose) methods and certain thermodynamic parameters were calculated. It was discovered that all complexes except complex II decomposed with rapid, single step reactions whereas complex II decomposed with a 2-step reaction.
Experimental and theoretical investigation of the spectroscopic and electronic properties of pyrazolyl ligands
Adeniyi, Adebayo A.,Ajibade, Peter A.
, p. 831 - 845 (2014)
The electronic and spectroscopic properties of seven pyrazole derivatives are presented in order to give a clear understanding of their distinguishing features. Four out of the seven ligands are synthesised and are also characterised experimentally. A very high correlation was observed between the experimental and the theoretical IR, 1H NMR and 13C NMR, which help in the characterisation of the ligands. The excitation properties computed using the TDDFT shows that most of experimentally observed absorptions of the ligands are predominantly form either the HOMO or HOMO-1 to LUMO or LUMO+1. The characteristic features of the *N atoms (i.e. metal available coordinating centre) shows that the carboxylic unit may possibly decrease the metal affinity of the pyrazole unit while the pyridine unit will increase the affinity. The conductivity properties of the seven ligands are found to be in the order of bdmpzpy > bpzpy > bphpza > bdcpzpy > phpz > dcpz. The J-coupling of *NN can give an insight into the variation in their bond distance, bond stretch and bond strength in the ligands. Also the atomic properties of the *N atoms and their *NN bonds can help in the molecular characterisation, differentiation and in prediction of the non-linear optical properties of the ligands as conductive materials.
Luminescent Electropolymerizable Ruthenium Complexes and Corresponding Conducting Metallopolymers
Keskin, Seyma Goren,Zhu, Xunjin,Yang, Xiaoping,Cowley, Alan H.,Holliday, Bradley J.
, p. 8217 - 8228 (2018)
Tris(2,2′-bipyridyl)ruthenium(II) dichloride [Ru(bpy)3Cl2] and analogous complexes have been studied extensively in the literature due to their luminescent and photochemical properties as well as their excited-state lifetimes. Conducting polymers with similar ruthenium groups have also been investigated for various applications. In this study, syntheses of four ruthenium complexes with a polymerizable tridentate ligand, bis[4-[2-(3,4-diethylenedioxy)thiophene]pyrazol-1-yl]pyridine (EDOT2NNN), and with bidentate ligands, two of which were anionic (hfac: 1,1,1,5,5,5-hexafluoro-2,4-pentanedione; dbm: dibenzoylmethane) and two of which were neutral (bpy: 2,2′-bipyridyl; phen: 1,10-phenanthroline), were achieved for potential OLED/PLED applications. Saturated CH2Cl2 solutions of monomers were oxidatively and electrochemically polymerized, and the scan rate dependences of the polymers were measured. UV-vis spectroscopic characterizations of the complexes and the EDOT-functionalized ligand were obtained. [Ru(EDOT2NNN)(phen)(Cl)](PF6) was electropolymerized on an ITO (indium tin oxide)-coated glass surface to obtain the solid-state absorption spectrum of the corresponding polymer. Photophysical data for each complex, i.e., excitation and emission spectra at 77 K and RT, in EtOH/MeOH (4:1) and in 2-MeTHF (dry, air-free, and aerated), quantum yield, and luminescence lifetime have been measured. The radiative and nonradiative decay constants as well as the oxygen quenching rate coefficient for each complex were calculated. [Ru(EDOT2NNN)(phen)(Cl)](PF6), having the highest quantum yield of phosphorescence and the longest lifetime, was electropolymerized on an ITO-coated glass surface to obtain the solid-state excitation and emission spectra of the corresponding polymer. Luminescence studies of the polymer had promising results for photoluminescence.
Flexible and optically transparent polymer embedded nano/micro scale spin crossover Fe(II) complex patterns/arrays
Basak, Supratim,Hui, Pramiti,Chandrasekar, Rajadurai
, p. 3408 - 3413 (2013)
A novel highly soluble spin-crossover (SCO) [FeII(L) 2](BF4)2 complex (I) was prepared, where L = 4,4″-dioctylated 2′,6′-bispyrazolylpyrine. Complex I shows reversible temperature dependent SCO behavior with a T1/2 centered around 270 K. Exploiting the high solubility and hence superior processability of complex I nano/micro scale arrays and square patterns were fabricated on a glass substrate. Additionally, for the first time, for the possible flexible technological applications, the SCO arrays (area: 2 mm2) were successfully embedded within an optically transparent thin polystyrene film and studied using Raman spectroscopy/imaging technique. Variable temperature Raman spectroscopy studies further confirmed the SCO behavior of complex I.
Biphenyl bridged hexadentate N6-ligands-a rigid ligand backbone for Fe(ii) spin crossover complexes
Heider, Silvio,Petzold, Holm,Chastanet, Guillaume,Schlamp, Stephan,Rueffer, Tobias,Weber, Birgit,Letard, Jean-Francois
, p. 8575 - 8584 (2013)
The novel hexadentate nitrogen based ligand N,N′-bis-(2-(1H-pyrazol- 1-yl)pyridine-6-ylmethyl)-2,2′-biphenylenediamine (3) was synthesized and used for the preparation of iron Spin Crossover (SCO) complexes [Fe(3)][BF 4]2 (4) and [Fe(3)][ClO4]2 (5), which differ only by the respective counter ion. These complex salts show different spin transition temperatures T1/2 (135 and 157 K, respectively). This effect was studied by the investigation of the solid state structure of different low- and high-spin isomers. All complexes of this series show closely related crystal packing regardless of the counter ion, metal (Zn/Fe) and spin state. The isomer exhibiting the lower transition temperature (4) was also investigated in respect to its photomagnetic behaviour. The LIESST process could be monitored for this complex, but no reverse-LIESST was observed. The relaxation of the photo-induced state occurs at ca. 80 K, showing a complex, three-state relaxation mechanism.
(Acetonitrile) [2,6-bis(pyrazol-1-yl)-pyridine](isonicotinamide)copper(II)-tetrafluoroborate-ac etonitrile (1/2/2)
Baum, Gerhard,Blake, Alexander J.,Fenske, Dieter,Hubberstey, Peter,Julio, Carine,Withersby, Matthew A.
, p. m542-m544 (2002)
The crystal structure of the compound [Cu(C2H3N)(C11H9N5) (C6H6N2O)](BF4)2 ·2C2H3N was discussed. It was found that the compound consists of cation which possessed distorted square-pyramidal geometries. The coordinated acetonitrile N-donor atom occupied the apical position. The analsis showed that the pairs of cations linked by N-H···F hydrogen bonds.
Correction to: Nickel-catalyzed enantioselective reductive cross-coupling of styrenyl aziridines (Journal of the American Chemical Society (2017) 139 (5688-5691) DOI: 10.1021/jacs.7b03448)
Woods, Brian P.,Orlandi, Manuel,Huang, Chung-Yang Dennis,Sigman, Matthew S.,Doyle, Abigail G.
supporting information, p. 7744 - 7745 (2018/06/26)
Table of Contents. The enantiomer of the BiOx ligand that delivers the indicated absolute configuration of product is (R,R)-(4-heptyl)BiOx. The corrected graphic is shown below: Page 5690. The absolute configuration of ligand L7 (4-heptyl- BiOx) was misas
