Phase Transitions in Some Hydrogen-Bonded Molecules
β Scribed by Abdel-Kader, M.M. ;Gwaily, S.E. ;El Zayat, M.Y.
- Publisher
- John Wiley and Sons
- Year
- 2002
- Tongue
- English
- Weight
- 130 KB
- Volume
- 191
- Category
- Article
- ISSN
- 0031-8965
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β¦ Synopsis
Subject classification: 64.70.Kb; 65.40.-b; S12
The calorimetric parameters including the heat capacity, thermal conductivity and thermal diffusivity are measured and/or determined as a function of temperature (310 K < T < 400 K) for two hydrogen-bonded molecules, namely anthralinic acid C 6 H 4 COOHNH 2 and p-nitrophenol C 6 H 4 NO 2 OH. It seems likely that the first compound undergoes a structural phase transition around 354 K whereas for the second compound the transition temperature is 336 K. Furthermore, the order of magnitude of the above-mentioned parameters suggests that the two compounds under current investigation behave as poorly conducting materials. The thermogravimetric analysis (TGA) for the two compounds was carried out. An interpretation of our data has been outlined on the basis of the crystal structure including the arrangement of the hydrogen bonding system in each compound.
π SIMILAR VOLUMES
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MRD-CI calculations have been carried out for hydrogen-bonded complexes involving formaldehyde and a series of proton donors of varying strengths: N&OH, NH=CHOH, CHr=CHOH and HsO. The energies for the singlet and triplet n-+x\* states of the various complexes are calculated and the shift in the tran