In: Chemistry - A European Journal, 2007, vol. 13, no. 19, p. 5360 - 5377
Ground- and excited-state magnetic properties of recently characterized π-conjugated photomagnetic organic molecules are analyzed by the means of density functional theory (DFT). The systems under investigation are made up of an anthracene (An) unit primarily acting as a photosensitizer (P), one or two iminonitroxyl (IN) or oxoverdazyl (OV) stable organic radical(s) as the dangling spin...
|
In: CHIMIA International Journal for Chemistry, 2013, vol. 67, no. 4, p. 200–203
|
In: Chemistry, a European Journal, 2010, vol. 16, no. 24, p. 7121–7124
In contrast to the structurally and configurationally stable alkyl- or aryl-substituted cyclopropyl radical cations, cyclopropyl silyl ethers undergo spontaneous ring opening upon oxidation whereby the endocyclic C-C(O-TMS) bond is cleaved with remarkable selectivity. DFT calculations on 1-trimethylsilyloxybicyclo[4.1.0]heptane show that this selectivity arises from the topology of the potential...
|