Attosecond angular flux of partial charges on the carbon atoms of benzene in non-aromatic excited state.

Recently, it was discovered that excitation of the oriented model benzene from its aromatic electronic ground state S 0 ( 1 A 1 g ) to the non-aromatic S 0 + S 2 ( 1 B 1 u ) superposition state generates negative and positive partial charges on alternating carbon atoms. Subsequently, they vary periodically, due to adiabatic attosecond charge migration AACM. Here, we determine the angular electronic flux that mediates this new type of AACM, by means of quantum dynamics simulations. It is found to be periodic, with period τ ¯ = 590 as , and with a pincer motion type pattern such that a total of 1.2 valence electrons flow concertedly between alternating sources and sinks at the carbon nuclei. [ABSTRACT FROM AUTHOR]