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排序方式: 共有396条查询结果,搜索用时 31 毫秒
91.
Li Fang Benjamin L. Davis Haiyan Lu John R. Lombardi 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2001,57(14)
In an excitation range of 620–760 nm, resonance Raman spectra of aluminum dimers (Al2) in an argon matrix have been obtained for the first time. Temperature annealing experiments were performed to remove Raman lines attributed site effects caused by the Al2/Ar matrix. We observe a single fundamental at 293.3 (5) cm−1 along with a progression up to 1149 (1) cm−1. Taking successive differences of band centers we obtain spectroscopic constants for the ground state fundamental, ωe=297.5 (5) cm−1, the anharmonicity, ωexe=1.68 (8) cm−1. Our results are in close agreement with previous experimental results for Al2 which designate the ground state as a 3Πu state, and may be considered as confirmation of this assignment. 相似文献
92.
On the basis of a comparison of the stationary absorption, fluorescence, and fluorescence excitation spectra of solutions of synthetic dimers of octaethylporphyrin (H2OEP) and its zinc complex (ZnOEP) of composition ZnOEP–ZnOEP and ZnOEP–H2OEP linked by an ethylene bridge in cis- and trans-geometry, we conclude that the cis-isomers of the above dimers, when illuminated, irreversibly change to their corresponding trans-isomers. 相似文献
93.
Hansel E. Gonzlez-Velasco María S. Prez-Gutirrez ngel J. Alonso-Castro Juan R. Zapata-Morales Perla del C. Nio-Moreno Nimsi Campos-Xolalpa Marco M. Gonzlez-Chvez 《Molecules (Basel, Switzerland)》2022,27(9)
Tagetes parryi is a plant empirically used to treat gastrointestinal and inflammatory diseases, its essential oil (EOTP) was obtained from the aerial parts, and the composition was elucidated by GC-MS. The in vivo and in vitro anti-inflammatory activities and the antinociceptive activity of EOTP and (1S)-(-)-verbenone (VERB) were assessed. The major compounds identified for EOTP were verbenone (33.39%), dihydrotagetone (26.88%), and tagetone (20.8%). EOTP and VERB diminished the ear oedema induced with TPA by 93.77 % and 81.13 %, respectively. EOTP and VERB decreased inflammation in a 12-O-tetradecanoylphorbol-13-acetate (TPA) chronic model with ED50 = 54.95 mg/kg and 45.24 mg/kg, respectively. EOTP (15 µg/mL) inhibited the in vitro production of the pro-inflammatory mediators NO (67.02%), TNF-α (69.21%), and IL-6 (58.44%) in LPS-stimulated macrophages. In the acetic induced writhing test, EOTP and VERB showed antinociceptive effects with ED50 = 84.93 mg/kg and ED50 = 45.24 mg/kg, respectively. In phase 1 of the formalin test, EOTP and VERB showed no antinociceptive effects, whereas in phase 2, EOTP (ED50 = 35.45 mg/kg) and VERB (ED50 = 24.84 mg/kg) showed antinociceptive effects. The antinociceptive actions of ETOP and VERB were blocked with the co-administration of L-NAME. This study suggests that EOTP and VERB might be used in the treatment of pain and inflammatory problems. 相似文献
94.
Xiaowei Sheng Hongjuan Zhu Zixuan Zhang Danyang Zhang Jingyang Lu Jianping Xiao 《International journal of quantum chemistry》2019,119(3):e25800
In the present article, the Tang–Toennies–Yiu (TTY) potential model is modified by introducing one adjustable parameter. Then, the van der Waals potentials of He2, Ne2, Ar2, Kr2, and Xe2 are calculated by this model with the adjustable parameter being determined by the well determined well depth De of these systems. Based on the derived potentials, the vibrational energy spacings of these systems are also calculated. It is shown that the present derived potentials and vibrational energy spacings agree well with experiment and other theoretical calculations. Finally, the normalization constant A in the asymptotic wave function of rare-gas atoms is estimated. The present derived normalization constant A is very close to the one by calculating the ratio between the Hartree–Fock function and the asymptotic wave function. The results confirm that absorbing the first-order polarization energy into the exchange energy expression is a well approximation for the present systems. 相似文献
95.
Fan Xie Dr. Nathan A. Seifert Prof. Dr. Wolfgang Jäger Prof. Dr. Yunjie Xu 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(36):15833-15840
Chirality recognition in dimers of tetrahydro-2-furoic acid (THFA) was studied in a conformer-specific manner using rotational spectroscopy and theoretical approaches. THFA shows a strong preference for the trans- over the cis-COOH configuration. Two drastically different scenarios are possible for the detectable (THFA)2: a kinetically preferred dimer bound by feeble interactions between two trans THFAs or a thermodynamically favored dimer with a double hydrogen-bonded ring structure between two cis subunits. To identify the conformers responsible for the extremely dense rotational spectra observed, it was essential not only to locate several hundred homo/heterochiral (THFA)2 minima in ab initio calculations but also to evaluate the energetic connectivities among the minima. The study further reveals an interesting chirality dependent structure–energy ordering relationship. A method for enantiomeric excess (ee) determination of THFA is presented using a recently proposed chiral self-tag approach. 相似文献
96.
B. Adinarayana Kenichi Kato Daiki Shimizu Takayuki Tanaka Ko Furukawa Atsuhiro Osuka 《Angewandte Chemie (International ed. in English)》2020,59(11):4320-4323
2,18‐Bis(dicyanomethyl)‐substituted NiII porphyrin 8 and ZnII porphyrin 11 were prepared and subjected to oxidation with PbO2 in CH2Cl2 at 298 K to give cyclophane‐type chlorin dimers ( 9 )2 and ( 12 )2 as a consequence of double recombination of biradicals 9 and 12 , respectively. Dimer ( 9 )2 takes a syn‐conformation of two distorted NiII chlorins but ( 12 )2 takes an anti‐conformation of relatively planar ZnII chlorins. At 298 K, dimer ( 9 )2 is stable and its 1H NMR spectrum is sharp but becomes broad at high temperature, while the 1H NMR spectrum of ( 12 )2 is considerably broad even at 298 K but becomes sharper at low temperature. These results indicate that the chlorin dimers dissociate to radical species, but the activation barrier of the dissociation of ( 12 )2 is much less than that of ( 9 )2. The involvement of diradicals in dynamic covalent chemistry has been suggested by thermal scrambling of hetero dimer ( 16 )2 to give homo dimers ( 9 )2 and ( 15 )2. 相似文献
97.
Cyclodextrins(CDs)ethibitmolccularrecognitionandinclusioncatalysiswhichresemblethatofenzyInes,'buttheirbindingabilitiestoguestmoleculesareusuallyweaker.OnewayofsolvingthisproblemistointroduceanotherCDasanadditionalbindingsitetoformaCDdimer.SuperiortosingleCDderivativesinmolecularrecognitionandbindingabilitytosubstrate,theserecentlyemergingCDdimersareshowingprondseasmoresophisticatedenZymembocs.2AnumberofCDdimershavebeenpreparedtoinvestigatethebindingpropertiestoguestmolecules.However,syn… 相似文献
98.
A. Ruebner D. Kirsch S. Andrees W. Decker B. Roeder B. Spengler R. Kaufmann J.G. Moser 《Journal of inclusion phenomena and macrocyclic chemistry》1997,27(1):69-84
The aim of our investigation was to develop carrier systems for an application of inert drugs in photodynamic cancer therapy. -Cyclodextrin dimers linked at their primary and secondary faces by spacers of varying lengths were synthesized as carrier systems. The binding constants of the inclusion complexes of these cyclodextrin dimers and porphyrinoid photosensitizers were determined by competitive spectrofluorometry. Particularly the secondary face linked dimers exhibited extremely high binding constants with values of 106-107 L/mol. Theoretical studies were carried out on these inclusion complexes to confirm the influence of spacer length and connecting side on complex stability. 相似文献
99.
Andreja Lesac Ute Baumeister Irena Dokli Zdenko Hameršak Trpimir Ivšić Darko Kontrec 《Liquid crystals》2018,45(7):1101-1110
Herein we report a comprehensive study on novel carbonyl- and ethenyl-linked symmetric dimers that combine synthesis, mesomorphic properties and molecular modelling. The study has been focused on the impact of geometry imposed by the linkage group on the incidence of the twist-bend nematic (NTB) phase. Comparison of the mesomorphic properties of these two series complemented with computational studies of conformational space around the linkage group points molecular curvature and intramolecular torsion plays important role in the appearance of the NTB phase and can be regarded as the basic structural requirements for design of new twist-bend nematogen materials. 相似文献
100.
液态烷基二茂铁桥联双聚分子是一类新型燃速催化剂,它不仅具有催化活性高的优良特性,而且挥发性及迁移性均有改善,适宜用于火箭燃料复合固体推进剂。本文合成9种含不同取代基的双核二茂铁化合物,其中6种为首次合成。该9种化合物的通式为:其结构通式、各化合物的编号、英文名缩写及所含取代基和桥联基表示如下: 相似文献