Conformational Mobility Study in Mono Quinone Derivative of Calix[4]arene by Low Temperature NMR Spectroscopy

2020 ◽  
Vol 17 (2) ◽  
pp. 101-106
Author(s):  
Elham Hassibi ◽  
Saeed Taghvaei Ganjali ◽  
Mohamad Mahmoodi Hashemi ◽  
Reza Zadmard ◽  
Shahram Moradi Dehaghi

: Calix[4]monoquinone (3) has been synthesized by oxidation of rigid cone conformation of tripropoxy calix[4]arene (2), and conformational characteristics of this molecule have been studied by means of dynamic nuclear magnetic resonance (DNMR) and HH- correlated nuclear magnetic resonance spectroscopy (HH-COSY NMR). On the basis of the data that have been obtained, free Gibbs energy of activation (ΔG#) for quinone ring interconversion process of 3 was determined 12.3±0.05 Kcal/mol by coalescence approximation method.

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