RESUMO
The spectrum arising from the (π*)(2) configuration of the chalcogen dimers, namely, the X(2)1, a2, and b0(+) states, is calculated using wave-function theory based methods. Two-component (2c) and four-component (4c) multireference configuration interaction (MRCI) and Fock-space coupled cluster (FSCC) methods are used as well as two-step methods spin-orbit complete active space perturbation theory at 2nd order (SO-CASPT2) and spin-orbit difference dedicated configuration interaction (SO-DDCI). The energy of the X(2)1 state corresponds to the zero-field splitting of the ground state spin triplet. It is described with high accuracy by the 2- and 4-component methods in comparison with experiment, whereas the two-step methods give about 80% of the experimental values. The b0(+) state is well described by 4c-MRCI, SO-CASPT2, and SO-DDCI, but FSCC fails to describe this state and an intermediate Hamiltonian FSCC ansatz is required. The results are readily rationalized by a two-parameter model; Δε, the π* spinor splitting by spin-orbit coupling and K, the exchange integral between the π(1)* and the π(-1)* spinors with, respectively, angular momenta 1 and -1. This model holds for all systems under study with the exception of Po(2).
RESUMO
Thymoxamine hydrochloride can be used intraocularly to reverse phenylephrine or epinephrine mydriasis during intraocular surgery (0.2-0.5 ml of 0.01% or 0.02% solutions proved to be effective). No endothelial damage was found up to a dose of 1 ml of 0.02% thymoxamine in animal experiments using a physiologically buffered solution. Since stability is low in the buffered state, the final concentration has to be prepared at the time of surgery using a 0.5% solution and a phosphate buffer. Intracameral thymoxamine is a potent miotic during operations and can be helpful in extracapsular cataract surgery, keratoplasty, and repair of perforating injuries.