In this work, the intermolecular dihydrogen and hydrogen bonding interactions in electronically excited states of a 2-pyridone (2PY)–borane–trimethylamine (BTMA) cluster have been theoretically studied using time-dependent density functional theory method. Our computational results show that the S1 state of 2PY–BTMA cluster is a locally excited state, in which only 2PY moiety is electronically excited. The theoretical infrared (IR) spectra of the 2PY–BTMA cluster demonstrate that the N–H stretching vibrational mode is slightly blue-shifted upon the electronic excitation. Moreover, the computed IR spectrum of the 2PY–BTMA cluster exhibits no carbonyl character due to the extension of the C=O bond length in the S1 state. However, the N–H bond is shortened slightly upon photoexcitation. At the same time, the H···H and H···O distances are obviously lengthened in the S1 sate by comparison with those in ground state. In addition, the electron density of the carbonyl oxygen is diminished due to the electronic excitation. Consequently, the proton acceptor ability of carbonyl oxygen is decreased in the electronic excited state. As a result, it is demonstrated that the intermolecular dihydrogen and hydrogen bonds are significantly weakened in the electronically excited state. 相似文献
Strong two‐photon absorption (TPA) in monolayer MoS2 is demonstrated in contrast to saturable absorption (SA) in multilayer MoS2 under the excitation of femtosecond laser pulses in the near‐infrared region. MoS2 in the forms of monolayer single crystal and multilayer triangular islands are grown on either quartz or SiO2/Si by employing the seeding method through chemical vapor deposition. The nonlinear transmission measurements reveal that monolayer MoS2 possesses a nonsaturation TPA coefficient as high as ∼(7.62 ±0.15) ×103 cm/GW, larger than that of conventional semiconductors by a factor of 103. As a result of TPA, two‐photon pumped frequency upconverted luminescence is observed directly in the monolayer MoS2. For the multilayer MoS2, the SA response is demonstrated with the ratio of the excited‐state absorption cross section to ground‐state cross section of ∼0.18. In addition, the laser damage threshold of the monolayer MoS2 is ∼97 GW/cm2, larger than that of the multilayer MoS2 of ∼78 GW/cm2.
We report on how the optical and structural properties of Nd:YAG proton beam written waveguides are modified when they experienced annealing treatments from 50 °C to 950 °C. The microstructural changes caused in the vicinity of the nuclear damage region were found to be stable up to 700 °C, so that higher annealing temperatures lead to a complete waveguide erasing. Before this "erasing" temperature, the partial thermal-induced defect recombination reduces the propagation losses, reaching its minimum value (below 1 dB/cm) after a 400 °C thermal annealing. 相似文献
It is well known that, in contrast to Fredholm integral equations, iterated collocation solutions (based on collocation at the Gauss points) to Volterra integral equations of the second kind exhibit optimal discrete superconvergence only at the mesh points. Here, we show that some degree of global superconvergence is possible on the entire interval. 相似文献