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Recent interest in the self‐healing ability of the laser dye 1‐amino‐2‐methylanthraquinone, Disperse Orange 11, has lead us to investigate the possible alternative mechanisms of action, either intramolecular proton transfer (PT) or twisted intramolecular charge transfer (TICT) formation. AMPAC semiempirical PM3 CI (all single excited configurations) potential energy surfaces searches have been conducted with either reaction mechanism. Based purely on the potential energy surface results, no state, S0, T1, or S1, seems especially likely to be kinetically favorable for PT. The T1 state is favorable thermodynamically for PT. However, the S1 state TICT reaction is both thermodynamically favorable and kinetically preferred over all PT reactions. There is also a favorable T1 TICT reaction, but much slower kinetically on the triplet surface than S1 TICT. The Wentzel–Kramers–Brillouin (WKB) method has been used to ascertain proton tunneling contributions to PT. Even with proton tunneling, S1 TICT is still more highly favored, though proton tunneling could make the T1 PT reaction competitive depending on the rate of intersystem crossing. We also examine spectroscopic properties of PT transfer and TICT reaction path entities in comparison with published experimental evidence. However, this comparison leads to ambiguous findings that suggest that electronic spectral properties alone will not fully clarify the mechanism. Overall, results suggest that the TICT mechanism is the most likely for optical damage and self‐repair for Disperse Orange 11, and might be considered for the damage and repair mechanisms for other organic solid state laser materials. Copyright © 2012 John Wiley & Sons, Ltd. 相似文献
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T.C. Awes G. Poggi S. Saini C.K. Gelbke R. Legrain G.D. Westfall 《Physics letters. [Part B]》1981,103(6):417-421
The emission of energetic light particles (p,d,t) has been studied for 16O induced reactions on Al, Zr and Au targets at the incident energies of 140, 215 and 310 MeV. The light-particle energy spectra have been analyzed in terms of a moving thermal source. The apparent temperatures exhibit a systematic variation as a function of the incident energy per nucleon above the Coulomb barrier. The observed trend can be extrapolated in a smooth fashion to temperatures obtained in relativistic heavy-ion collisions. 相似文献
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Gary D. Westfall 《Acta Physica Hungarica A》2002,15(3-4):349-358
We find that results for flow and elliptic flow from Au+Au collision at 20–60 AMeV and Ar+Sc from 45 to 105 AMeV are best explained using transport models incorporating a soft equation of state. 相似文献
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Gary D. Westfall 《Acta Physica Hungarica A》2004,21(2-4):249-254
The balance function is based on the principle that charge is locally conserved when particles are pair produced. Balance functions have been measured for all charged pairs, identified pion pairs, and identified charged kaon pairs in Au+Au collisions at $\sqrt {s_{NN} } = 200$ GeV and p+p collisions at $\sqrt {s_{NN} } = 200$ GeV at the Relativistic Heavy Ion Collider using STAR. Balance functions for all charged particles from Au+Au scale smoothly with centrality to the p+p value. Balance functions for charged particles and pions are narrower in central collisions than in peripheral collisions consistent with trends predicted by models incorporating the concept of late hadronization. Balance functions for kaon pairs represent a strangeness balance. Balance functions for kaons are narrower than those for pion pairs and may show less dependence on centrality. 相似文献