Thermochemistry of 2,2′-dipyridil N-oxide and 2,2′-dipyridil N,N′-dioxide. The dissociation enthalpies of the N−O bonds

In this paper, the first, second and mean (N?O) bond dissociation enthalpies (BDEs) were derived from the standard (p° = 0.1 MPa) molar enthalpies of formation, in the gaseous phase, ${\mathrm{\Delta }}_{\text{f}}{H}_{\text{m}}^{°}(\text{g})$, at T = 298.15 K, of 2,2′-dipyridil N-oxide and 2,2′-dipyridil N,N′-dioxide. These values were calculated from experimental thermodynamic parameters, namely from the standard (p° = 0.1 MPa) molar enthalpies of formation, in the crystalline phase, ${\mathrm{\Delta }}_{\text{f}}{H}_{\text{m}}^{°}(\text{cr})$, at T = 298.15 K, obtained from the standard molar enthalpies of combustion, ${\mathrm{\Delta }}_{\text{c}}{H}_{\text{m}}^{°}$, measured by static bomb combustion calorimetry, and from the standard molar enthalpies of sublimation, at T = 298.15 K, determined from Knudsen mass-loss effusion method.     

Experimental thermochemical study of the monochloronitrobenzene isomers

The standard (p^° = 0.1 MPa) molar enthalpies of formation of 2-, 3-, and 4-chloronitrobenzene isomers, in the crystalline state, at T = 298.15 K, were derived from the standard (p^° = 0.1 MPa) massic energies of combustion, in oxygen, at T = 298.15 K, measured by rotating bomb combustion calorimetry. The standard molar enthalpies of sublimation of the isomers, at T = 298.15 K, were obtained by high temperature Calvet microcalorimetry.     

12.

Experimental study on the thermochemistry of 5-nitroindole and 5-nitroindoline     

Manuel A.V. Ribeiro da Silva  Joana I.T.A. Cabral 《The Journal of chemical thermodynamics》2009,41(3):355-360

     

13.

Thermodynamic properties of pentaphenylantimony Ph5Sb over the range from T → 0 K to 400 K     

N.N. Smirnova  I.A. Letyanina  V.N. Larina  A.V. Markin  V.V. Sharutin  V.S. Senchurin 《The Journal of chemical thermodynamics》2009,41(1):46-50

     

14.

Revisiting dibenzothiophene thermochemical data: Experimental and computational studies     

Vera L.S. Freitas  José R.B. Gomes  Maria D.M.C. Ribeiro da Silva 《The Journal of chemical thermodynamics》2009,41(11):1199-1205

     

15.

Standard molar enthalpies of formation of sodium alkoxides     

《The Journal of chemical thermodynamics》2007,39(3):449-454

     

16.

Synthesis,structure, and thermodynamics of a lanthanide coordination compound incorporating 5-nitroisophthalic acid     

《The Journal of chemical thermodynamics》2012

A lanthanide coordination compound, [Sm₃(5-nip)₄(5-Hnip)(H₂O)₇·9H₂O]_n (5-H₂nip = 5-nitroisophthalic acid), has been synthesized and characterized by elemental analysis, IR, TG-DSC, and single-crystal X-ray diffraction. Structural analysis reveals that the compound features two kinds of 1D channels with guest water molecules. TG-DSC curves show that the dehydrated product of the compound exhibits high stability up to 673 K. The enthalpy change of reaction of formation in water, ${\mathrm{\Delta }}_{\text{r}}{H}_{\text{m}}^{\theta }$(l), was determined to be (27.608 ± 0.133) kJ · mol⁻¹ at (298.15 ± 0.01) K by microcalorimetry. Based on a designed thermochemical cycle and other auxiliary thermodynamic data, the enthalpy change of reaction of formation in solid at (298.15 ± 0.01) K and the standard molar enthalpy for the compound, ${\mathrm{\Delta }}_{\text{r}}{H}_{\text{m}}^{\theta }$(s) and ${\mathrm{\Delta }}_{\text{f}}{H}_{\text{m}}^{\theta }$, were calculated to be (96.8 ± 0.8) kJ · mol⁻¹ and (−831.4 ± 16.0) kJ · mol⁻¹, respectively. In addition, thermodynamics and thermokinetics of the reaction of formation of the compound were investigated in water.     

17.

Experimental and computational thermochemical study of the tri-, tetra-, and pentachloronitrobenzene isomers     

Manuel A.V. Ribeiro da Silva  Ana I.M.C. Lobo Ferreira  Joana I.T.A. Cabral  Ana Filipa L.O.M. Santos  Ana Rita G. Moreno  Tiago L.P. Galvão  Inês M. Rocha  Paula M.V. Fernandes  Sílvia Q. Salgueiro  Vanessa A.F. de Moura  Isabel M.S.C. Oliveira  Paula C. Cotelo  Mariana R.A. Ribeiro 《The Journal of chemical thermodynamics》2009,41(9):984-991

     

18.

Standard molar enthalpies of formation of some vinylfuran derivatives     

Manuel A.V. Ribeiro da Silva  Luísa M.P.F. Amaral 《The Journal of chemical thermodynamics》2009,41(3):349-354

The standard (p^° = 0.1 MPa) molar enthalpies of combustion, ${\mathrm{\Delta }}_{\text{c}}{H}_{\text{m}}^{°}$, for crystalline 2-furanacrylic acid, 3-furanacrylic acid, and 3-(2-furyl)-2-propenal and for the liquid 2-furanacrylonitrile were determined, at the temperature 298.15 K, using a static bomb combustion calorimeter. For these compounds, the standard molar enthalpies of phase transition, ${\mathrm{\Delta }}_{\text{cr,l}}^{\text{g}}{H}_{\text{m}}^{°}$, at T = 298.15 K, were determined by Calvet microcalorimetry. For the two crystalline furanacrylic acids the vapour pressures as function of temperature were measured by the Knudsen effusion technique and the standard molar enthalpies of sublimation, ${\mathrm{\Delta }}_{\text{cr}}^{\text{g}}{H}_{\text{m}}^{°}$, at T = 298.15 K were derived by the Clausius–Clapeyron equation. The results are as follows:

Synthesis,structure, and thermodynamics of a lanthanide coordination compound incorporating 5-nitroisophthalic acid

A lanthanide coordination compound, [Sm₃(5-nip)₄(5-Hnip)(H₂O)₇·9H₂O]_n (5-H₂nip = 5-nitroisophthalic acid), has been synthesized and characterized by elemental analysis, IR, TG-DSC, and single-crystal X-ray diffraction. Structural analysis reveals that the compound features two kinds of 1D channels with guest water molecules. TG-DSC curves show that the dehydrated product of the compound exhibits high stability up to 673 K. The enthalpy change of reaction of formation in water, ${\mathrm{\Delta }}_{\text{r}}{H}_{\text{m}}^{\theta }$(l), was determined to be (27.608 ± 0.133) kJ · mol⁻¹ at (298.15 ± 0.01) K by microcalorimetry. Based on a designed thermochemical cycle and other auxiliary thermodynamic data, the enthalpy change of reaction of formation in solid at (298.15 ± 0.01) K and the standard molar enthalpy for the compound, ${\mathrm{\Delta }}_{\text{r}}{H}_{\text{m}}^{\theta }$(s) and ${\mathrm{\Delta }}_{\text{f}}{H}_{\text{m}}^{\theta }$, were calculated to be (96.8 ± 0.8) kJ · mol⁻¹ and (−831.4 ± 16.0) kJ · mol⁻¹, respectively. In addition, thermodynamics and thermokinetics of the reaction of formation of the compound were investigated in water.     

Standard molar enthalpies of formation of some vinylfuran derivatives

The standard (p^° = 0.1 MPa) molar enthalpies of combustion, ${\mathrm{\Delta }}_{\text{c}}{H}_{\text{m}}^{°}$, for crystalline 2-furanacrylic acid, 3-furanacrylic acid, and 3-(2-furyl)-2-propenal and for the liquid 2-furanacrylonitrile were determined, at the temperature 298.15 K, using a static bomb combustion calorimeter. For these compounds, the standard molar enthalpies of phase transition, ${\mathrm{\Delta }}_{\text{cr,l}}^{\text{g}}{H}_{\text{m}}^{°}$, at T = 298.15 K, were determined by Calvet microcalorimetry. For the two crystalline furanacrylic acids the vapour pressures as function of temperature were measured by the Knudsen effusion technique and the standard molar enthalpies of sublimation, ${\mathrm{\Delta }}_{\text{cr}}^{\text{g}}{H}_{\text{m}}^{°}$, at T = 298.15 K were derived by the Clausius–Clapeyron equation. The results are as follows:

Partial molar volumes of organic solutes in water. XX. Glycine(aq) and l-alanine(aq) at temperatures (298 to 443) K and at pressures up to 30 MPa

Density data for dilute aqueous solutions of two amino acids (glycine, l-alanine) obtained using a flow vibrating-tube densimeter are presented together with partial molar volumes at infinite dilution (standard molar volumes, $V_{\text{m,}2}^{°}$) calculated from the measured data. The experiments were performed at temperatures from (298 up to 443) K at pressures close to the saturation line of water, at pressures in the range from (15 to 17) MPa, and at 30 MPa. Values of an analogue of isothermal compressibility, ${\kappa }_{T\text{,}2}^{°}=-(1/V_{\text{m,}2}^{°})(?V_{\text{m,}2}^{°}/?p{)}_T$, are also evaluated. Maxima on the curves $V_{\text{m,}2}^{°}(T)$ and ${\kappa }_{T\text{,}2}^{°}(T)$ are observed and discussed. The new data along with literature values of standard molar volumes and heat capacities are used for generating the recommended parameterization of an equation of state for standard molar thermodynamic properties of the aqueous amino acids.