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1.
Two bis(bipyridine) polymeric metal nitrate complexes
with 4,4’-bipyridine of simple formula like [M(bipy)2](NO3)2⋅xH2O (where M=Co, Ni and Cu; x=4, 2 and 0, respectively) have been prepared and
characterized. Their thermal decomposition has been undertaken using simultaneous
TG-DTG-DTA and DSC in nitrogen atmosphere and non-isothermal TG in air atmosphere.
Isothermal TG has been performed at decomposition temperature range of the
complexes to evaluate the kinetics of decomposition by applying model-fitting
as well as isoconversional method. Possible mechanistic pathways have also
been proposed for the thermolysis. Ignition delay measurements have been carried
out to investigate the response of these complexes under the condition of
rapid heating. 相似文献
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Hanhua Zhao Curtis P. Berlinguette John Bacsa Shane E. Tichy Kim R. Dunbar 《Journal of Cluster Science》2003,14(3):235-252
The preparation and characterization of two new mixed-valence, trinuclear species, [Mn3O(O2CCF3)6(H2O)3]CF3COOH4/3H2O (1) and [Mn3O(O2CCF3)6(CH3COOH)3] (2), is reported. Compound 1 crystallizes in the triclinic space group, P¯1 (No. 2), with the parameters, a=12.3131(9) Å, b=12.4427(9) Å, c=12.965(1) Å, =72.593(4)°, =73.453(5)°, =68.345(4)°, V=1727.2(2) Å3, and Z=2. A total of 14060 reflections were collected in the range 1.6827.52°. The final weighted and non-weighted agreement indices, R1=0.0589 and wR2=0.1445 were based on a total of 6953 unique reflections with an R
int value of 0.0542. Compound 2 crystallizes in the monoclinic space group, P21/n (No. 14), with the parameters, a=12.876(3) Å, b=12.212(4) Å, c=17.732(4) Å, =100.40(3)°, V=3640.4(1) Å3, and Z=4. A total of 32197 reflections were collected in the range 1.7227.13°. The final weighted and non-weighted agreement factors, R1=0.0647 and wR2=0.1609 were based on a total of 8018 unique reflections with an R
int
value of 0.0462. An investigation of the physical properties revealed that both compounds display an intermediate ground state of S=3/2 as a consequence of intramolecular antiferromagnetic coupling. The magnetic data for compound 1 was best fit to the parameters g=2.09, J=–5.5 cm–1, J=–3.4 cm–1, and D
Mn(III)=–4.5 cm–1; the data for compound 2 was best fit to the parameters g=2.10, J=–2.9 cm–1, J=–5.5 cm–1, and D
Mn(III)=–4.5 cm–1. 相似文献
4.
Ryan P. Jansonius Phil A. Schauer David J. Dvorak Benjamin P. MacLeod David K. Fork Curtis P. Berlinguette 《Angewandte Chemie (International ed. in English)》2020,59(29):12192-12198
Strain engineering can increase the activity and selectivity of an electrocatalyst. Tensile strain is known to improve the electrocatalytic activity of palladium electrodes for reduction of carbon dioxide or dioxygen, but determining how strain affects the hydrogen evolution reaction (HER) is complicated by the fact that palladium absorbs hydrogen concurrently with HER. We report here a custom electrochemical cell, which applies tensile strain to a flexible working electrode, that enabled us to resolve how tensile strain affects hydrogen absorption and HER activity for a thin film palladium electrocatalyst. When the electrodes were subjected to mechanically‐applied tensile strain, the amount of hydrogen that absorbed into the palladium decreased, and HER electrocatalytic activity increased. This study showcases how strain can be used to modulate the hydrogen absorption capacity and HER activity of palladium. 相似文献
5.
Berlinguette CP Dragulescu-Andrasi A Sieber A Galán-Mascarós JR Güdel HU Achim C Dunbar KR 《Journal of the American Chemical Society》2004,126(20):6222-6223
A charge-transfer-induced spin transition (CTIST) is observed in the discrete cyanide-bridged complex, {[Co(tmphen)2]3[Fe(CN)6]2}. Single-crystal X-ray diffraction, 57Fe M?ssbauer spectroscopy, and magnetic susceptibility were used collectively to describe the oxidation states of the Co and Fe ions in this cluster as a function of temperature. This pentanuclear complex represents the first example of a CTIST at the discrete molecular level. 相似文献
6.
The oxidation of water catalyzed by [Ru(tpy)(bpy)(OH(2))](ClO(4))(2) (1; tpy = 2,2';6',2'-terpyridine; bpy = 2,2'-bipyridine) is evaluated in different acidic media at variable oxidant concentrations. The observed rate of dioxygen evolution catalyzed by 1 is found to be highly dependent on pH and the identity of the acid; e.g., d[O(2)]/dt is progressively faster in H(2)SO(4), CF(3)SO(3)H (HOTf), HClO(4), and HNO(3), respectively. This trend does not track with thermodynamic driving force of the electron-transfer reactions between the terminal oxidant, (NH(4))(2)[Ce(NO(3))(6)] (CAN), and Ru catalyst in each of the acids. The particularly high reactivity in HNO(3) is attributed to the NO(3)(-) anion: (i) enabling relatively fast electron-transfer steps; (ii) participating in a base-assisted concerted atom-proton transfer process that circumvents the formation of high energy intermediates during the O-O bond formation process; and (iii) accelerating the liberation of dioxygen from the catalyst. Consequently, the position of the rate-determining step within the catalytic cycle can be affected by the acid medium. These factors collectively contribute to the position of the rate-determining step within the catalytic cycle being affected by the acid medium. This offering also outlines how other experimental issues (e.g., spontaneous decay of the Ce(IV) species in acidic media; CAN/catalyst molar ratio; types of catalytic probes) can affect the Ce(IV)-driven oxidation of water catalyzed by homogeneous molecular complexes. 相似文献
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在前文工作的基础上,结合MNDO/EHMO分子轨道方法和自然杂化轨道方法,具体计算了CC键和CP键的核自旋偶合常数.计算结果表明,1JCC和1JCP主要由成键原子的轨道杂化作用和键极性这两种结构因素所决定.为从简单价键理论角度解释和计算1JCC和1JCP值提供了简便直观的方法. 相似文献
9.
Azide telechelics of poly(dimethylsiloxane) (PDMS), polypropylene oxide (PPO), and polyethylene oxide (PEO) were synthesized from the corresponding epoxy telechelics and characterized. These oligomeric azides were chain extended by reaction with bispropargyl ether of bisphenol A (BPEBA) through a copper‐catalyzed azide‐alkyne cycloaddition (CuAAC) reaction. PDMS manifested a faster reaction in contrast to PPO or PEO. The chain‐extended polymers underwent cross‐linking above 170°C through thermal cleavage of residual (terminal) azide groups. This was manifested in their rheograms and was further substantiated by FTIR and NMR spectroscopic analyses. Dynamic mechanical analyses of the cross‐linked polymers exhibited characteristic transitions of hard and soft segments, implying microphase separation in the system. Microscopic evaluation of the thermally cross‐linked sample revealed a porous morphology with microsized to nanosized pores. 相似文献
10.
Kenkera Rayappa Naveen Dr. Keshavananda Prabhu CP Dr. Ramanaskanda Braveenth Prof. Jang Hyuk Kwon 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(12):e202103532
Pure organic molecules based thermally activated delayed fluorescence (TADF) emitters have been successfully developed in recent years for their propitious application in highly efficient organic light emitting diodes (OLEDs). In the case of orange red emitters, the non-radiative process is known to be a serious issue due to its lower lying singlet energy level. However, recent studies indicate that there are tremendous efforts put to develop efficient orange red TADF emitters. In addition, the external quantum efficiency (EQE) of heteroaromatic based orange red TADF OLEDs surpassed 30 %. Such heteroaromatic type emitters showed wide emission spectra; therefore, more attention is being paid to develop highly efficient orange red TADF emitters along with good color purity. Herein, the recent progress of orange red TADF emitters based on molecular structures, such as cyanobenzene, heteroaromatic, naphthalimide, and boron-based acceptors, are reviewed. Further, our insight on these acceptors has been provided by their photophysical studies and device performances. Future perspectives of orange red TADF emitters for real practical applications are discussed. 相似文献