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 ...
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 ...
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 ...