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Journal ArticleDOI

Thermal decomposition of transition metal carboxylates. 2. role of evolution of microstresses in the kinetics of decomposition of anhydrous copper(ii) formate

01 Feb 1996-Russian Chemical Bulletin (Kluwer Academic Publishers-Plenum Publishers)-Vol. 45, Iss: 2, pp 335-339
TL;DR: In this paper, the dynamics of changes in microstresses during thermal decomposition of Cu(HCOO)2 crystals and their effect on the Thermal decomposition kinetics were studied by IR spectroscopy at 105 to 120 °C.
Abstract: Dynamics of changes in microstresses during thermal decomposition of Cu(HCOO)2 crystals and their effect on the thermal decomposition kinetics were studied by IR spectroscopy at 105 to 120 °C. The formation of solid intermediate HCOOCu was observed, and the dynamics of its accumulation was followed. Kinetic regularities of transformation of HCOO groups were compared with those for gas evolution.
Citations
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Journal ArticleDOI
TL;DR: The theoretical work showed that the "heating-up" and "hot injection" processes could be understood within the same theoretical framework in which they share the characteristics of nucleation and growth stages.
Abstract: We studied the kinetics of the formation of iron oxide nanocrystals obtained from the solution-phase thermal decomposition of iron−oleate complex via the “heating-up” process. To obtain detailed information on the thermal decomposition process and the formation of iron oxide nanocrystals in the solution, we performed a thermogravimetric-mass spectrometric analysis (TG-MS) and in-situ magnetic measurements using SQUID. The TG-MS results showed that iron−oleate complex was decomposed at around 320 °C. The in-situ SQUID data revealed that the thermal decomposition of iron−oleate complex generates intermediate species, which seem to act as monomers for the iron oxide nanocrystals. Extensive studies on the nucleation and growth process using size exclusion chromatography, the crystallization yield data, and TEM showed that the sudden increase in the number concentration of the nanocrystals (burst of nucleation) is followed by the rapid narrowing of the size distribution (size focusing). We constructed a theore...

415 citations

Journal ArticleDOI
TL;DR: In this article, the thermal decomposition of organotin(IV) complexes has been studied in the temperature range 300 − 988 K in dry nitrogen using TG, DTG and DTA techniques.

3 citations

References
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Book
01 Jan 1978
TL;DR: In this article, the normal modes of vibration are illustrated and corresponding vibrational frequencies are listed for each type, including diatomic, triatomic, fouratomic, five-atomic, six-atomic and seven-atomic types.
Abstract: Inorganic molecules (ions) and ligands are classified into diatomic, triatomic, four-atomic, five-atomic, six-atomic, and seven-atomic types, and their normal modes of vibration are illustrated and the corresponding vibrational frequencies are listed for each type. Molecules of other types are grouped into compounds of boron, carbon, silicon, nitrogen, phosphorus, and sulfur, and the structures and infrared (IR)/Raman spectra of select examples are shown for each group. Group frequency charts including band assignments are shown for phosphorus and sulfur compounds. Other group frequency charts include hydrogen stretching frequencies, halogen stretching frequencies, oxygen stretching and bending frequencies, inorganic ions, and metal complexes containing simple coordinating ligands. Keywords: inorganic compounds; coordination compounds; diatomic molecules (ligands); triatomic molecules (ligands); four-atomic molecules (ligands); five-atomic molecules (ligands); six-atomic molecules (ligands); seven-atomic molecules (ligands); boron compounds; carbon compounds; silicon compounds; nitrogen compounds; phosphorus compounds; sulfur compounds; group frequency charts

15,951 citations

Book
17 Nov 1976
TL;DR: In this article, the estimation of thermochemical data and rate parameters is performed using thermochemical kinetics methods for data and parameter estimation, and the authors present a method for estimating thermochemical rate parameters.
Abstract: Thermochemical kinetics: methods for the estimation of thermochemical data and rate parameters , Thermochemical kinetics: methods for the estimation of thermochemical data and rate parameters , مرکز فناوری اطلاعات و اطلاع رسانی کشاورزی

537 citations

Journal ArticleDOI
TL;DR: In this paper, a review of the commonly used methods for representing electronic potential-energy surfaces for small molecules and simple chemical reactions in terms of globally defined analytical functions is presented, and the consequences of different potential surface representations for the dynamics of collisions on these surfaces are discussed at length.
Abstract: This article reviews the commonly used methods for representing electronic potential-energy surfaces for small molecules and simple chemical reactions in terms of globally defined analytical functions. Four classes of methods are discussed: spline fitting methods, semiempirical methods, many-body expansion methods, and methods that represent global surfaces based on information determined along reaction paths. The application of these methods is examined in detail for four triatomic systems and one four-atom system: $\mathrm{O}(^{3}P)+{\mathrm{H}}_{2}$, Cl+HCl, H+CO, $\mathrm{O}(^{1}D)+{\mathrm{H}}_{2}\ensuremath{\rightarrow}{\mathrm{H}}_{2}\mathrm{O}\ensuremath{\rightarrow}\mathrm{OH}+\mathrm{H}$, and H+C${\mathrm{O}}_{2}$\ensuremath{\rightarrow}OH+CO. These examples illustrate both the art and the pitfalls of representing surfaces. In addition, the consequences of different potential surface representations for the dynamics of collisions on these surfaces are discussed at length.

228 citations

Journal ArticleDOI
TL;DR: In this article, a detailed theoretical study of vibrational-rotational excitation and reaction in collisions of CO2 with 1.9-2.6 eV hydrogen atoms is presented.
Abstract: We present a detailed theoretical study of vibrational–rotational excitation and reaction in collisions of CO2 with 1.9–2.6 eV hydrogen atoms. Minima and saddle points on the potential surface have been characterized using ab initio configuration interaction calculations, and a global surface has been developed by a combination of many-body expansion and surface-fitting methods. The collision dynamics have been studied using quasiclassical trajectories, with the CO2 vibrational states characterized by a Fourier-transform action calculation. For non-reactive scattering there is reasonable correlation between the vibrational modes that are excited and the regions of the potential surface sampled during the collisions. Most of the lower states of CO2 are excited by direct collisions that do not sample potential wells. Collisions which do sample wells lead to short-lived HOCO and HCO2 complexes, in which either the H dissociates to produce highly excited overtone and combination states of CO2, or a CO bond breaks to give OH + CO having close to statistical vibrational–rotational distributions. Comparison of cross-sections and final-state distributions with experiment is excellent for the reactive collisions, and is good on a relative but not absolute basis for the non-reactive collisions.

177 citations