Thermochemical and thermophysical study of 2-thiophenecarboxylic acid hydrazide and 2-furancarboxylic acid hydrazide

Silva, Manuel A.V. Ribeiro da; Amaral, Luı́sa M.P.F.; Santos, Ana Filipa L.O.M.

doi:10.1016/j.jct.2008.06.011

The Journal of Chemical Thermodynamics

2008

DOI: 10.1016/j.jct.2008.06.011

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Thermochemical and thermophysical study of 2-thiophenecarboxylic acid hydrazide and 2-furancarboxylic acid hydrazide

Manuel A.V. Ribeiro da Silva

Luı́sa M.P.F. Amaral

Ana Filipa L.O.M. Santos

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Cited by 28 publications

References 31 publications

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Kinetic and thermodynamic study of inter‐ and intramolecular proton transfer in N′‐acetyl formohydrazide tautomers

Tavakol

2010

Int J of Quantum Chemistry

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Nine tautomers and eleven possible tautomeric interconversions of N 0 -acetyl formohydrazide have been studied at B3LYP/6-311þþG** level of theory. From these calculations, optimized geometries, molecular parameters, IR frequencies, NMR chemical shifts, and energetic results are obtained. In all tautomers except tautomers 4, E isomer is more stable than Z isomer. Energetic data were used to calculate the energy barriers of tautomeric interconversions and very high energy barriers were obtained for all tautomeric interconversions. Moreover, study of solvent effects on relative stabilities of tautomers and transition states showed that they are similar to those in the gas phase. In addition, intermolecular proton transfer with the assistance of one to three water molecules has been studied and the results showed that activation barriers in water-assisted tautomerism are in general lower than those in the gas phase.

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Kinetic and thermodynamic study of inter‐ and intramolecular proton transfer in N′‐acetyl formohydrazide tautomers

Tavakol

2010

Int J of Quantum Chemistry

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Thermochemical properties of two nitrothiophene derivatives

Silva

Santos

2010

J Therm Anal Calorim

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Standard molar enthalpies of formation of 5- and 6-nitroindazole

Silva

Cabral

2010

J Therm Anal Calorim

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Thermochemical and thermophysical study of 2-thiophenecarboxylic acid hydrazide and 2-furancarboxylic acid hydrazide

Cited by 28 publications

References 31 publications

Kinetic and thermodynamic study of inter‐ and intramolecular proton transfer in N′‐acetyl formohydrazide tautomers

Kinetic and thermodynamic study of inter‐ and intramolecular proton transfer in N′‐acetyl formohydrazide tautomers

Thermochemical properties of two nitrothiophene derivatives

Standard molar enthalpies of formation of 5- and 6-nitroindazole

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