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1.
Two novel 2′-hydroxychalcone derivatives (i.e., M1 and M2) are explored in this work. We mainly focus on investigating the effects of photoexcitation on hydrogen bonds and on the excited-state intramolecular proton transfer (ESIPT) process. On the basis of calculations of electrostatic potential surface and intramolecular interactions, we verify the formation of hydrogen bond O1 H2···O3 in both S0 and S1 states. Exploring the ultraviolet–visible spectra in the liquid phase, our simulated results reappear in the experimental phenomenon. Analyzing molecular geometry and infrared stretching vibrational spectra, we confirm O1 H2···O3 is strengthened for both M1 and M2 in the S1 state. We further confirm that charge redistribution facilitates ESIPT tendency. Constructing potential energy curves, we find the ultrafast ESIPT behavior for M1, which is because of the deficiency of side hydroxyl moiety comparing with M2. This work makes a reasonable affiliation of the ESIPT mechanism for M1 and M2. We wish this paper could facilitate understanding these two novel systems and promote their applications. 相似文献
3.
新生MnO2对酸性媒介黑T的吸附 总被引:4,自引:0,他引:4
以化学法合成的新生MnO2为吸附剂,对水中酸性媒介黑T(染料之一)进行了吸附脱色研究,并探讨了影响吸附的因素。结果表明,酸性媒介黑T的脱色率达95%。且PH是影响染料脱色的主要因素。 相似文献
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6.
A brief account of applications of polarized inelastic neutron scattering in condensed matter research is given. We show that
full polarization analysis is the only tool allowing to discriminate unambiguously between different magnetic modes in various
magnetic materials. We show by means of recent results in the Heisenberg ferromagnet EuS that the effects of dipolar interactions
can be studied on a microscopic scale. Moreover, we have found for the first time indications for the divergence of the longitudinal
fluctuations belowT
c. In the itinerant antiferromagnet chromium we demonstrate that the dynamics of the longitudinal and transverse excitations
are very different, resolving a long standing puzzle concerning the slope of their dispersion. Finally, we show that a measurement
of the polarization-dependent part of the cross section of non-centrosymmetric MnSi proves directly that the chirality of
the magnetic fluctuations is left-handed. 相似文献
7.
Using the DFT/B3LYP method with a 6-31G(d) basis set, the structure, normal vibration frequencies, and the absolute band intensities in the IR spectra of the chlorin molecule and its four symmetric isotopomers have been calculated. Scaling of the force field by the Pulay method in independent and natural coordinates has been carried out. A method for obtaining effective force fields without using experimental data on the fundamental vibration frequencies is proposed. By comparing the vibration modes and constructing special matrices, complete assignment of the fundamental frequencies of porphin and chlorin has been carried out. It has been shown that the majority of porphin macroring vibrations upon pyrrolenine ring hydrogenation are frequency-characteristic and only 12 vibrations change considerably. A frequency correlation with regard for the mode transition between chlorin and all its isotopomers under consideration has been established. Comparative analysis of the force fields of porphin and chlorin in dependent natural coordinates has revealed the unique nonlocal character of the change in force constants of the macroring upon hydrogenation of one pyrrolenine ring. Modeling of the IR spectra of chlorin and its isotopomers has been performed. Assignment and interpretation of the normal vibrations of the molecules under consideration have been carried out. 相似文献
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9.
Twenty-five years ago, we introduced the phenomenon of negative luminescence (NL) into semiconductor physics. This paper provides an overview of work conducted to develop this fundamental concept. Initially, we consider the first-principle approach to radiation interaction with basic matter and the major properties of NL. Then we describe the problems of NL direct measurements in homogeneous materials and structures. Finally, we emphasize the use of NL approach in applications involving devices for infrared (IR) wavelength (3–12 μm) high-temperature (300–400 K) optoelectronics. Our subjects will include NL IR emitting diodes, radiative coolers, IR dynamic scene simulators, light up-conversion devices, and the Stealth effect in IR. 相似文献
10.
J. R. Lindle W. W. Bewley I. Vurgaftman J. R. Meyer J. L. Johnson M. L. Thomas W. E. Tennant 《Physica E: Low-dimensional Systems and Nanostructures》2004,20(3-4):558
A self-referencing, optical modulation technique was used to measure the negative luminescence efficiencies of an array of mid-wave infrared HgCdTe photodiodes with cutoff wavelength 4.6 μm as a function of sample temperature. The internal efficiency at a wavelength of 4 μm was 93% at 295 K, and nearly independent of temperature in the 240–300 K range. This corresponds to an apparent temperature reduction >50 K at room temperature and >30 K at 240 K. Moreover, the reverse-bias saturation current density was only 0.13 A/cm2. The measured transmission and emission spectra were simulated using empirical HgCdTe absorption formulas from the literature. 相似文献