Abstract :
Quantum mechanical self-assembly of artificial minimal living cells were studied. These cells are based on peptide nucleic acid and are 3.5–4.5 nanometers in diameter. The electron tunneling and associated light absorption of most intense transitions as calculated by time dependent density functional theory method differs from spectroscopic experiments by only 0.3 nm. This agreement implies that the quantum mechanically self- assembled structure of artificial minimal living cells very closely approximate the realistic ones. Analysis of the time dependent density functional theory method calculated absorption spectrum and images of electron transfer trajectories in the different excited states allow to separate two different logically controlled functions of molecular device consisting of guanine- cytosine-peptide nucleic acid -1,4 – dihydroquinoxaline -1,4 – bis (N,N- dimethylamino) naphthalene supermolecule and Van der Waals bonded precursor of fatty acid molecule. The time dependent density functional theory method were used to investigate various photoactive systems of artificial minimal living cells based on Ru(bipyridine)3 2+ sensitizer.
Keywords :
artificial minimal living cells , photoexcited electron tunneling , molecular electronics , logical gate