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1.
Theoretical study on the mechanism for the excited-state double proton transfer process of an asymmetric Schiff base ligand 下载免费PDF全文
Zhengran Wang 《中国物理 B》2022,31(4):48202-048202
Excited-state double proton transfer (ESDPT) in the 1-[(2-hydroxy-3-methoxy-benzylidene)-hydrazonomethyl]-naphthalen-2-ol (HYDRAVH2) ligand was studied by the density functional theory and time-dependent density functional theory method. The analysis of frontier molecular orbitals, infrared spectra, and non-covalent interactions have cross-validated that the asymmetric structure has an influence on the proton transfer, which makes the proton transfer ability of the two hydrogen protons different. The potential energy surfaces in both S0 and S1 states were scanned with varying O-H bond lengths. The results of potential energy surface analysis adequately proved that the HYDRAVH2 can undergo the ESDPT process in the S1 state and the double proton transfer process is a stepwise proton transfer mechanism. Our work can pave the way towards the design and synthesis of new molecules. 相似文献
2.
《电子技术基础》是学好其他专业课程的基础,它研究电子元器件和电子电路在各种领域的应用,它的发展水平直接影响着各行各业的发展,因此,应帮助学生学好本课程.1联系实际激发学生学习的主动性兴趣是学习的动力,因此在学习之初就必须激发学生的学习兴趣,消除厌学畏难的心理.如在绪论课,给学生介绍日常生活息息相关的电子产品,如电视机、手机、DVD等,同时介绍电子技术在自动控制中的重要性,让学生了解其实用性,激发学习兴趣.再如,在 相似文献
3.
A cyanine dye, 2-[7-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-1,3,3-trimethyl-3H-indolium iodide (NK-125), is doped in 4-cyano-4'-pentylbiphenyl (5 CB), and the mixture is sandwiched between two pieces of rubbed glass plates. The third-order nonlinear optical properties of the oriented NK-125-SCB layers are measured by the resonant femtosecond degenerate four-wave mixing (DFWM) technique at 760 nm. The third-order nonlinear optical susceptibility of one of the present samples is 5.5×10^-8 esu. The slow DFWM response of the NK-125-SCB layers due to a population grating is accelerated by the increasing laser power because of amplified spontaneous emission (ASE). On the other hand, we do not observe a similar phenomenon for NK-125- polyethylene glycol (PEG-400). Oriented NK-125 molecules in nematic liquid crystals must have very high ASE efficiency. Hence the population grating in a DFWM signal disappears within about 4 ps. It is expected that NK-125-SCB can be used as a material for very fast all-optical switching. 相似文献
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1974年,Neal根据Kac和Siegert的思想,给出了一个在电子工程、海洋工程、建筑工程、航空工程、自动控制的随机振动中有重要应用的二阶Volterra非线性系统对平稳正态输入的统计响应的表示定理.1984年,Naess对此定理又给出了一个数学证明.经过研究后发现,他们对定理条件的叙述都是模糊的,而且其数学证明都是有问题的.本文重新讨论了这个表示定理,给出了明确的定理条件及严格的数学证明,为它的广泛应用奠定了理论基础. 相似文献
6.
采用简单、快速且有选择性的红外光谱法测定高碱性磺酸盐添加剂的碱值。在高碱性磺酸盐同一张谱图上,可以测定到在865厘米~(-1),1180厘米~(-1)分别属于δco_3~(2-),v_(asso)振动的吸收强度,由于样品厚度未知,而采用了吸收比的方法。 相似文献
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Anisotropy in Third-Order Nonlinear Optical Susceptibility of a Squarylium Dye in a Nematic Liquid Crystal 下载免费PDF全文
A squarylium dye is dissolved in 4-cyano-4'-pentylbiphenyl (SCB) and oriented by sandwiching mixtures between two pieces of rubbed glass plates. The optical absorption spectra of the oriented squarylium dye-5CB layers exhibit high anisotropy. The third-order nonlinear optical responses and susceptibilities X^(3)e of squarylium dye in 5CB are measured with light polarizations parallel and perpendicular to the orientational direction by the resonant femtosecond degenerate four-wave mixing (DFWM) technique. Temporal profiles of the DFWM signal of the oriented squarylium dye-5CB layers with light polarizations parallel and perpendicular to the orientational direction are measured with a time resolution of 0.3ps (FWHM), and are found to consist of two components, i.e., the coherent instantaneous nonlinear response and slow response due to the formation of excited molecules. A high anisotropic ratio of x^(3)e, 10.8 :k 1.2, is observed for the oriented layers. 相似文献
9.
Following a previous systematic theoretical study of the ground-state properties of over 7000 nuclei from the proton drip line to the neutron drip line in the relativistic mean field model [Prog. Theor. Phys. 113 (2005) 785], which is in fair agreement with existing experimental data, we observe a few spurious shell closures, i.e. proton shell closures at Z = 58 and Z = 92. These spurious shell closures are found to persist in all the effective forces of the relativistic mean field model, e.g. TMA, NL3, PKDD and DD-ME2. 相似文献
10.
环境中排放的重金属离子Cu!对水生和陆生生物有强的毒害性。饮用水中Cu!的浓度高于1.0mg·L-1时,将会导致人畜得血色沉着病和胃肠粘膜病[1]。Cu!无法进行生物降解,除去废水中Cu!的常见方法有离子交换、置换、化学沉淀等[2],然而这些方法需要消耗大量的化学试剂,成本高。近来,研 相似文献