Now showing items 1-3 of 3
The substituent effect on benzene dications
(RSC Publishing, 2014-01-03)
It was recently postulated that the benzene ring and its 4n + 2 p-electron analogues are resistant to the substituent effect due to the fact that such systems tend to retain their delocalized character. Therefore, the 4n ...
Why 1,2‑quinone derivatives are more stable than their 2,3‑analogues?
(Springer Berlin Heidelberg, 2015-02-25)
In this work, we have studied the relative stability of 1,2- and 2,3-quinones. While 1,2-quinones have a closed-shell singlet ground state, the ground state for the studied 2,3-isomers is open-shell singlet, except ...
Temperature-dependent polymorphism of N-(4-fluorophenyl)-1,5-dimethyl-1H-imidazole-4-carboxamide 3-oxide: experimental and theoretical studies on intermolecular interactions in the crystal state
(Springer US, 2014)
X-ray analysis of N-(4-fluorophenyl)-1,5-dimethyl-1H-imidazole-4-carboxamide 3-oxide reveals the temperature-dependent polymorphism associated with the crystallographic symmetry conversion. The observed crystal structure ...