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Journal ArticleDOI

Thermochemical properties of C<sub>60</sub>Br<sub>24</sub>

TLDR
In this article , the thermal decomposition of C60Br24•2Br2 has been studied by Differential Scanning Calorimetry (DSC) at different heating rates.
Abstract
The thermal decomposition of C60Br24•2Br2 has been studied by Differential Scanning Calorimetry (DSC) at different heating rates. Depending from the heating rate, the thermal decomposition peak occurred between 163 °C and 201 °C with an activation energy E# = 108.6 kJ/mol. The decomposition products are C60 (assessed by FT-IR) and molecular bromine. From the decomposition enthalpy measured by DSC, the enthalpy of formation ΔHf°(C60Br24(c)) = 2114 ± 34 kJ/mol has been determined. By group increment or group additivity method ΔHf°(C60Br24 (g)) = 2184 kJ/mol has been calculated, in fair agreement with the experimental value. Furthermore, through the group increment method ΔGf°(C60Br24 (g)) = 3264 kJ/mol has been estimated. The enthalpy of the C-Br bond in the C60Br24 molecule was found comprised between 108 and 120 kJ/mol.

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Fullerene-indene adducts (ICMA & ICBA) in an astrochemical perspective part 1: chemical thermodynamics, stability and electronic absorption spectroscopy

TL;DR: In this paper , the chemical thermodynamics of the reaction between C60 and indene were analyzed using the thermochemical group increment approach, and the electronic absorption spectra of ICMA and ICBA were studied in n-hexane and the molar extinction coefficients of the main absorption bands have been determined.
Journal ArticleDOI

Synthesis of a new C<sub>60</sub> cyanofullerene derivative

TL;DR: In this paper , a new cyanofullerene derivative has been synthesized through a nucleophilic substitution reaction made on C60Br24 and the thermogravimetric analysis (TGA) has led to the following stoichiometry for the new compound: [C60(CN)7] −[Bu4N]+ which was further confirmed both with the X-ray photoelectron spectroscopy (XPS), Fourier-transform infrared spectrograph (FT-IR), and the electronic absorption spectroscope.
References
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Journal ArticleDOI

Estimation of heats of formation of organic compounds by additivity methods

N. Cohen, +1 more
- 01 Nov 1993 - 
TL;DR: In this article, the authors take a kineticist perspective in answering the question, what is a ''sufficiently accurate`` prediction of an enthalpy of formation, i.e., the difference between, say, 90% and 64% reaction yield.
Journal ArticleDOI

A hierarchy of homodesmotic reactions for thermochemistry.

TL;DR: It is demonstrated that RC4 and RC5 reactions provide bond separation enthalpies with errors consistently less than 0.4 kcal mol(-1) across a wide range of theoretical levels, performing significantly better than the other reaction types and far superior to atomization routes.
Journal ArticleDOI

Preparation and characterization of C 60 Br 6 and C 60 Br 8

TL;DR: In this article, the authors reported the synthesis of crystalline C60Br6 (which forms magenta plates) and C60BR8 (dark brown prisms) by mixing solutions of C60 with bromine.
Journal ArticleDOI

Synthesis and Single-Crystal X-ray Structure of a Highly Symmetrical C60 Derivative, C60Br24

TL;DR: The x-ray crystal structure defines a new pattern of addition to the carbon skeleton that imparts a rare high symmetry.
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