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151.
The gas-phase infrared absorption spectra of neutral benzyl and tropyl, isomers of formula C7H7, have been measured in the 400-1800 cm-1 spectral region. In addition, a quantum chemical calculation has been performed to model the infrared spectra. For the benzyl radical, the theory shows satisfactory overlap with the experiment, although vibrations involving the CH2 group might be anharmonic. The tropyl radical, which is subject to the Jahn-Teller effect, seems well modeled for the out-of-plane vibrational modes, but less so for the in-plane vibrational modes. 相似文献
152.
Jayaraman Chandrasekhar Eluvathingal D. Jemmis Paul von Ragué Schleyer 《Tetrahedron letters》1979,20(39):3707-3710
The 3,5-dehydrophenyl cation (I), which may represent the structure of C6H3 ions observed mass spectroscopically, illustrates : two different aromatic systems in orthogonal planes. 相似文献
153.
The aim of this work was the preparation of enantiomerically pure bis(pinene-bipyridine) ligands containing the ferrocenyl moiety. Several such ligands (1-3) were synthesized and completely characterized. These molecules can be diastereoselectively deprotonated at the acidic methylene group of the pinene moiety using a strong and sterically hindered base such as LDA. Subsequent reaction of the formed anion with alkyl halides yield the family of C(2)-symmetric enantiopure compounds (1a-c). Copper(I), silver(I), or zinc(II) complexes with several ligands (C1-C8) were prepared and structurally characterized in the solid state and in solution. Self-assembled helical species are formed in several cases. It became evident that the chiral groups present in the ligand do not completely determined the helical configuration of the assemblages. Diastereoselectivity is thus not complete with this type of ligands, contrary to other, similar ligands studied before. 相似文献
154.
The spinels of the system LixMn1?xV2O4 (0 ? x ? 1) have been prepared at 700–750°C from LiV2O4 and MnV2O4. The lattice constants decrease linearly with increasing x. In the region x>0.75, the d-electrons of V should be delocalized as the VV distances are lower than the critical VV separation of 2.94 Å. Experimentally, the samples with x>0.6 show no IR absorption bands and the Seebeck coefficient is near zero. The Seebeck coefficient can be described with a model of intermediate polarons and can be expressed by the equation . 相似文献
155.
The structure and configuration of harpagoside, a bitter principle from the roots of Harpagophytum procumbens DC, have been elucidated by degradation reactions and NMR. spectra. The hitherto uncertain position of a secondary hydroxyl group could be assigned to C-6 of the aglycone moiety. As earlier postulated, harpagoside ( 1 ) as well as its saponification product, harpagide ( 12 ), belong to a series of natural enol ethers known as iridoids. 相似文献
156.
Wolfgang Hnle Walter Schmettow Karl Peters Jen‐Hui Chang Hans Georg von Schnering 《无机化学与普通化学杂志》2004,630(12):1858-1862
The novel ternary polyphosphides M4P21I (M = K, Rb) have been synthesized from the elements in single crystalline form, representing further examples for the formation of mixed crystals between simple salts and binary phosphides. They form as ruby‐red platelets and dark‐red prisms, respectively, and are only slightly sensitive to moisture and oxygen. The compounds are isotypic (Ccmm (no 63); Z = 4; oP104; K4P21I: a = 12.853Å; b = 21.795Å; c = 9.748Å; 1168 hkl, R = 0.033; Rb4P21I: a = 13.281Å; b = 21.868Å; c = 9.771Å; 777 hkl, R = 0.053) and feature corrugated 2D networks formed from two different types of polymerized P7 units. The networks form large cavities filled by M+ and I‐ ions. Zigzag chains of condensed trigonal M6 prisms, centered by the I‐ anions, separate the polyphosphide nets. The mean homoatomic P‐P bond length (d = 2.216Å) corresponds to a P‐P single bond. However, the individual P‐P distances vary with position and function (2.126 ‐ 2.247Å) and these are compared with those of the isolated P21‐3 anion. 相似文献
157.
Peter Wagner 《Zeitschrift für Angewandte Mathematik und Physik (ZAMP)》1984,35(5):723-727
Zusammenfassung Es wird eine Darstellung einer Fundamentallösung des OperatorsP()=Q()2–(c1)2m
durch Fundamentallösungen der OperatorenQ()±(c1)
m
angegeben. Als Anwendung berechnen wir die Singularitätenfunktionen der gespannten Platte und der Kreiszylinderschale.
Summary A method is given, which allows to derive a fundamental solution of the operatorP()=Q()2–(c1)2m from some fundamental solutions of the operatorsQ()±(c1) m . As an application we easily obtain the singular solutions of the unidirectionally stretched plate and of the circular cylindrical shell.相似文献
158.
Ingrid Fischler Rosi Wagner Ernst A.Koerner Von Gustorf 《Journal of organometallic chemistry》1976,112(2):155-165
The photochemical reaction of the trinuclear complex Fe3(CO)10NSi(CH3)3 under hydrogen leads to substitution of the bridging carbonyl group by two hydrogens. The resulting complex H2Fe3(CO)9NSi(CH3)3 acts as a catalyst in the photochemical hydrogenation of olefins and dienes. 相似文献
159.
Chepanoske CL Richardson BE von Rechenberg M Peltier JM 《Rapid communications in mass spectrometry : RCM》2005,19(1):9-14
The quantity and variable quality of data that can be generated from liquid chromatography (LC)/mass spectrometry (MS)-based proteomics analyses creates many challenges in interpreting the spectra in terms of the actual proteins in a complex sample. In spite of improvements in algorithms that match putative peptide sequences to MS/MS spectra, the assembly of these lists of possible or probable peptides into a 'correct' set of proteins is still problematic. We have observed a trend in a simple relationship, derived from standard database search outputs, which can be useful in assessing the quality of a MS/MS-based protein identification. Specifically, the ratio of the protein score and number of non-redundant peptides, or average peptide score (APS), can facilitate initial filtering of database search results in addition to providing a useful measure of confidence for the proteins identified. This parameter has been applied to results from the analysis of multi-protein complexes derived from pull-down experiments analyzed using a two-dimensional LC/MS/MS workflow. In particular, the complex list of protein identifications derived from a drug affinity pull-down with immobilized ampicillin and an E. coli lysate was greatly simplified by applying the APS as a filter, allowing for facile identification of the penicillin-binding proteins known to interact with ampicillin. Furthermore, an APS threshold can be used for any data sets derived from electrospray ionization (ESI)- or matrix-assisted laser desorption/ionization (MALDI)-MS/MS experiments and is also not specific to any database search program. 相似文献
160.
Ulrich Vgeli Wolfgang von Philipsborn Kuppuswamy Nagarajan Mohan D. Nair 《Helvetica chimica acta》1978,61(2):607-617
Heterocyclic compounds obtained by addition of acetylenedicarboxylic acid esters to thioureas, cyclic amidines and o-difunctionalized aromatic systems have been studied by 13C-NMR. In particular, C, H-spin-coupling constants over two and three bonds were used to differentiate between the various constitutional isomers and to establish the configuration of trisubstituted exocyclic C, C-double bonds. The configurational significance and diagnostic value of vicinal cis and trans C,H-spin coupling is again demonstrated in the present series. 相似文献