Effective partition function of crystals: Reconstruction from heat capacity data and Debye-Waller factor

2020 ◽  
Vol 593 ◽  
pp. 412243 ◽  
Author(s):  
Roman Tomaschitz
Author(s):  
Chandrakant Sarode ◽  
Sachin Yeole ◽  
Ganesh Chaudhari ◽  
Govinda Waghulde ◽  
Gaurav Gupta

Aims: To develop an efficient protocol, which involves an elegant exploration of the catalytic potential of both the room temperature and surfactant ionic liquids towards the synthesis of biologically important derivatives of 2-aminothiazole. Objective: Specific heat capacity data as a function of temperature for the synthesized 2- aminothiazole derivatives has been advanced by exploring their thermal profiles. Method: The thermal gravimetry analysis and differential scanning calorimetry techniques are used systematically. Results: The present strategy could prove to be a useful general strategy for researchers working in the field of surfactants and surfactant based ionic liquids towards their exploration in organic synthesis. In addition to that, effect of electronic parameters on the melting temperature of the corresponding 2-aminothiazole has been demonstrated with the help of thermal analysis. Specific heat capacity data as a function of temperature for the synthesized 2-aminothiazole derivatives has also been reported. Conclusion: Melting behavior of the synthesized 2-aminothiazole derivatives is to be described on the basis of electronic effects with the help of thermal analysis. Additionally, the specific heat capacity data can be helpful to the chemists, those are engaged in chemical modelling as well as docking studies. Furthermore, the data also helps to determine valuable thermodynamic parameters such as entropy and enthalpy.


Cryogenics ◽  
2010 ◽  
Vol 50 (10) ◽  
pp. 693-699 ◽  
Author(s):  
Hal Suzuki ◽  
Akira Inaba ◽  
Christoph Meingast

1966 ◽  
Vol 44 (1) ◽  
pp. 45-56 ◽  
Author(s):  
Roger Howard ◽  
J. Grindlay

Tables and asymptotic limits of the Debye functions[Formula: see text]are presented for n = 0.5, 1.0, 1.5, 2.0, 2.5. This information may be used to facilitate the calculation of the negative moments of the phonon frequency distribution function from the heat capacity data of crystals.


Sign in / Sign up

Export Citation Format

Share Document