Neutral radical molecules ordered in self-assembled monolayer systems for quantum information processing

Implementation of quantum information processing based on spatially localized electronic spins in stable molecular radicals is discussed. The necessary operating conditions for such molecules are formulated in self-assembled monolayer (SAM) systems. As a model system we start with 1,3-diketone types of neutral radicals. Using first principles quantum chemical calculations we prove that these molecules have stable localized electron spin, which may represent a qubit in quantum information processing.