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991.
Keum SR Roh HJ Choi YK Lim SS Kim SH Koh K 《Magnetic resonance in chemistry : MRC》2005,43(10):873-876
(1)H and (13)C NMR spectra of symmetric and asymmetric bis-spiropyrans, Series 1-3, were completely assigned. Especially, the (1)H assignment of asymmetric spiropyrans was achieved by utilizing (1)H-(1)H COSY and nOe experiments. All of the carbons in the dye molecules were investigated through a combination of heteronuclear 2D-shift correlation spectroscopy (HETCOR), together with an attached proton test (APT). 相似文献
992.
Rubén Montalvo-González 《Journal of Molecular Structure》2003,655(3):375-389
The complete 1H, 13C and 15N NMR analyses for a series of 25 diaryl-aldimines containing phenyl, pyridyl, pyrazolone and furanyl moieties are described herein. Detailed evaluation of substituent chemical shift and coupling constant effects showed that interaction between the lone pair of the pyrazolone carbonyl group or the nitrogen of 2-substitued pyridines with the aldimine hydrogen increases the value and shifts the resonance signal for this hydrogen to high frequency, in the 1H NMR spectra. The X-ray crystal structure analysis of pyrazolone substituted aldimines evidenced the planarity of the aryl groups which are conjugated with the CN double bond. In the case of the N-(2-pyridinemethylene)-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one, two rotamers were observed in the same unit cell. 相似文献
993.
《Arabian Journal of Chemistry》2020,13(12):8848-8887
Phthalocyanine (Pc) complexes are an important class of dyes with numerous (e.g., biological, photophysical, and analytical) applications. Among the methods used to improve the properties of these complexes, one should mention the introduction of different substituents, variation of the central metal ion, ligand exchange, and conjugation to nanomaterials (e.g., carbon-based nanomaterials and metal nanoparticles (NPs)). This work briefly reviews Pc complex conjugation to Ag and Au NPs, highlights the different NP shapes, and discusses the diversity of conjugation approaches. Moreover, the use of UV–Vis spectroscopy, powder X-ray diffraction, X-ray photoelectron spectroscopy, transmission electron microscopy, atomic force microscopy, dynamic light scattering and Fourier transform infrared spectroscopy to characterize Pc-NP hybrids is summarized. The effect of conjugation on Pc photo-physicochemical properties (fluorescence, singlet oxygen generation, triplet state formation, and optical limiting behavior) is discussed, and future perspectives for the synthesis and applications of new hybrids are provided. 相似文献
994.
W. Wojnowski J. Pikies K. Peters E.-M. Peters D. Thiery H. G. Von Schnering 《无机化学与普通化学杂志》1994,620(2):377-384
Formation and Structures of N-(tri-t-butoxysilyl)aniline Compounds Para-substituted N-(tri-t-butoxysilyl)anilines (t-BuO)3SiNRC4H4X-p, R = H, CH3, with substituents of high electron affinity (X = CN, NO2) were prepared by a one-pot reaction of tri-t-butoxychlorsilane, potassium t-butanolate and substituted anilines. Corresponding compounds with substituents of low electron affinity (X = OMe, H) preferably were prepared by metalation of anilines with sodium amide. Four crystal structures were determined. N-(tri-t-butoxysilyl)-p-nitro-aniline, N-methyl-(N-tri-t-butoxysilyl)-p-nitroaniline and N-(tri-t-butoxysilyl)-p-cyanoaniline crystallize at 298 K monoclinically, N-(tri-t-butoxysilyl)aniline crystallizes orthorhombically. 相似文献
995.
We have calculated the spherical v0 and anisotropic radial components v2 and v4 in the usual Legendre expansion for the rigid rotor He-N2 potential using the method of Tang and Toennies Potential curves covering the range of internuclear distances from 2.5 to 8.0 Å, which includes the minimum region, arc presented and compared with a recent experimental potential derived from differential total cross sections. 相似文献
996.
The reactions of 4-carboxy-1,2-cyclohexanedionedioxime and nickel(II) were studied in alkaline media. Spectrophotometric studies indicate the presence of a 1:1 complex ion, NiD-. Magnetic susceptibility measurements on a series of solutions of varying ratios of vic-dioxime and nickel(II) showed that the 1:1 complex ion was diamagnetic and that two paramagnetic complexes, probably NiD24- and NiD37-, are present in solution. The stability constants for the three complexes were calculated from spectrophotometric and magnetic susceptibility data. The log K values were found to be log K1 = 28.74 ± 0.60, log K2 = 0.76 ± 0.15, and log K3 = 3.67 ± 0.73, respectively. 相似文献
997.
ZHANG Cong-jie CAO Ze-xing ** ZHANG Qian-er . State Key Laboratory for Physical Chemistry of Solid Surface Department of Chemistry Center for Theoretical Chemistry Xiamen University Xiamen P. R. China . Department of Chemistry Shanxi Normal University Linfen P. R. China 《高等学校化学研究》2003,(4)
IntroductionCarbon chains are among the most attractivecandidates as the carriers of the diffuse interstellarbands ( DIBs) [1] .To detect the carbon chains indark clouds and carbon stars[2 ] ,itis very importantto understand their electronic spectra.Maier andhis coworkers have measured the polyacetylenicradicals C2 n H( n=1— 4) and C2 n-1H( n=2— 6) bythe rotational spectroscopy[3 ,4] and the species n≤ 4have been detected in dark interstellar clouds[5,6] .In neon matrices,the B2 Π← X2… 相似文献
998.
999.
1000.
Martin Gruebele 《Theoretical chemistry accounts》2003,109(2):53-63
Vibrational energy flow in organic molecules occurs by a multiple-time-scale mechanism that can be modeled by a single exponential
only in its initial stages. The mechanism is a consequence of the hierarchical structure of the vibrational Hamiltonian, which
leads to diffusion of vibrational wavepackets on a manifold with far fewer than the 3N−6 dimensions of the full vibrational state space. The dynamics are controlled by a local density of states, which does not
keep increasing with molecular size. In addition, the number of vibrational coordinates severely perturbed during chemical
reaction is small, leading to preservation of the hierarchical structure at chemically interesting energies. This regularity
opens up the possibility of controlling chemical reactions by controlling the vibrational energy flow. Computationally, laser
control of intramolecular vibrational energy redistribution can be modeled by quantum-classical, or by purely quantum-mechanical
models of the molecule and control field.
Received: 26 July 2002 / Accepted: 30 September 2002 / Published online: 2 December 2002
Electronic Supplementary Material to this paper can be obtained by using the Springer Link server located at http://dx.doi.org/10.1007/s00214-002-0394-2.
Acknowledgements. This work was supported by NSF grant CHE 9986670.
Correspondence to: M. Gruebele e-mail: gruebele@scs.uiuc.edu 相似文献