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181.
Manju Rajeswaran Thomas N. Blanton David R. Whitcomb Nicholas Zumbulyadis Brian J. Antalek Scott T. Misture 《Journal of solid state chemistry》2006,179(4):1053-1059
In continuation of our interest in solid-state structures of silver complexes of photographic importance, the structure for silver benzotriazole (AgBZT), has now been obtained. The preferred method for solving crystal structures is via single-crystal X-ray diffraction (XRD). However, for some materials, growing single crystals of appropriate size and quality is often difficult or even impossible. AgBZT is an example of such a silver complex with poor solubility. The usual routes to preparing single crystals using recrystallization from a cooperating solvent resulted in polycrystalline powder samples. We propose a crystal structure for AgBZT, solved from synchrotron X-ray powder diffraction data, using a direct-space Monte Carlo simulated annealing approach. AgBZT crystals are monoclinic, (P21/c), with unit cell dimensions, a=14.8052(3) Å, b=3.7498(4) Å, c=12.3495(12) Å, and β=114.200(6)°. The AgBZT complex is constructed from all three of the Benzotriazole (BZT) nitrogens bonding to a separate silver atom. As a consequence of this bonding mode, the structure is a highly cross-linked, coordination polymer. 相似文献
182.
本证明了当(a,b)不属于{(1,8),(2,4),(3,6),(4,4),(2s^2-s,2s^2 s))时,L^m(Ka,b)以谱为特征,其中a≤b,s≥2. 相似文献
183.
X. Y. Yang H. C. Gao X. L. Tan H. Z. Yuan G. Z. Cheng S. Z. Mao S. Zhao L. Zhang J. Y. An J. Y. Yu Y. R. Du 《Colloid and polymer science》2004,282(3):280-286
1H chemical shift changes of sodium 4-decyl naphthalene sulfonate (SDNS) at 313 K show that its critical micellar concentration lies between 0.82 and 0.92 mmol/dm3, which is in the same range as that of the previous study at 298 K. The spin–lattice relaxation time, spin–spin relaxation time and two-dimensional nuclear Overhauser enhancement spectroscopy experiments give information about the structure of the SDNS micelle and the dynamics of the molecules in the micelle. The size of the SDNS micelle remains almost unchanged in the temperature range from 298 to 313 K as deduced by analyzing the self-diffusion coefficient. Special arrangement of the naphthyl rings of SDNS in the micelles affects the packing of these hydrophobic chains. The methylene groups of the alkyl chain nearest the naphthalene groups penetrate into the aromatic region, which results in a more tightly packed hydrophobic micellar core than that of sodium dodecyl sulfonate. 相似文献
184.
The Castelnuovo-Mumford regularity of a module gives a rough measure of its complexity. We bound the regularity of a module given a system of approximating modules whose regularities are known. Such approximations can arise naturally for modules constructed by inductive combinatorial means. We apply these methods to bound the regularity of ideals constructed as combinations of linear ideals and the module of derivations of a hyperplane arrangement as well as to give degree bounds for invariants of finite groups. 相似文献
185.
In this paper, we study the Hilbert–Samuel function of a generic standard graded K-algebrawhen refined by an (ℓ)-adic filtration, ℓ being a linear form. From this we obtain a structure theorem which describes the stairs of a generic complete intersection for the degree-reverse-lexicographic order. We show what this means for generic standard (or Gröbner) bases for this order; in particular, we consider an “orderly filling up” conjecture, and we propose a strategy for the standard basis algorithm which could be useful in generic-like cases. 相似文献
K[X1,…,Xn]/(g1,…,gm)
186.
187.
《Magnetic resonance in chemistry : MRC》2003,41(12):975-982
The reaction of 2,4‐pentanedione ( 1 ) with (R)‐(—)‐2‐phenylglycine methyl ester ( 2 ), (R)‐(—)‐2‐phenylglycinol ( 3 ) and the proteinogenic amino acids (2S,3R)‐(—)‐2‐amino‐3‐hydroxybutyric acid (L ‐threonine) ( 4 ) and (R)‐(—)‐2‐amino‐3‐mercaptopropionic acid (L ‐cysteine) ( 5 ) methyl esters was investigated. The corresponding enamines 6 , 7 and 8 were isolated and characterized spectroscopically whereas 9 , which is unstable, was transformed in situ into 13 . Treatment of 7 , 8 and 9 with boron trifluoride etherate afforded the new [1,4]oxazepines 10 , 11 and [1,4]thiazepine ( 12 ) as their BF3O? salts. The structures of the enamines and their corresponding seven‐membered heterocycles were assessed by 1D and 2D NMR spectroscopy. Variable‐temperature experiments revealed different molecular mobility behavior among these heterocycles. Copyright © 2003 John Wiley & Sons, Ltd. 相似文献
188.
It is shown that in-situ
166mHo (I = 7) in a spherical single crystal of HoF3 can be used as sensitive internal thermometer to thermally detect NMR (NMR-TDNO) from the 100% abundant stable 165Ho (I = 7/2) nuclei. In addition, new 166mHo NMRON results are reported. Both the 166mHo NMRON and 165Ho NMR-TDNO spectra show three distinct quadrupolar split sub-resonances, in zero applied field. The data is used to make
estimates of the Ho magnetic moments and quadrupole parameters for the 166mHo and 166mHo sites. 相似文献
189.
Nadya Dencheva Teresa G. Nunes M. Jovita Oliveira Zlatan Denchev 《Journal of Polymer Science.Polymer Physics》2005,43(24):3720-3733
The crystalline structure of polyamide‐12 (PA12) was studied by solid‐state 13C nuclear magnetic resonance (NMR) as well as by synchrotron wide‐ and small‐angle X‐ray scattering (WAXS and SAXS). Isotropic and oriented PA12 showed different NMR spectra ascribed to γ‐ and γ′‐crystalline modifications, respectively. On the basis of the position of the first diffraction peak, the isotropic γ‐form and the oriented γ′‐form were shown to be with hexagonal crystalline lattice at room temperature. When heated, the two PA12 polymorphs demonstrated different behaviors. Above 140 °C, the isotropic γ‐PA12 partially transformed into α‐modification. No such transition was observed with the oriented γ′‐PA12 phase even after annealing at temperatures close to melting. A γ′–γ transition was observed here only after isotropization by melting point. Various structural parameters were extracted from the WAXS and SAXS patterns and analyzed as a function of temperature and orientation: the degree of crystallinity, the d‐spacings, the Bragg's long spacings, the average thicknesses of the crystalline (lc) and amorphous (la) phases, and the linear crystallinity xcl within the lamellar stacks. © 2005 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 43: 3720–3733, 2005 相似文献
190.
We study bounds on averages of spectral functions corresponding to Sturm-Liouville operators on the half line for different boundary conditions. As a consequence constraints are obtained which imply existence of singular spectrum embedded in a.c. spectrum for sets of boundary conditions with positive measure and potentials vanishing in an interval [0,N]. These constraints are related to estimates on the measure of sets where the spectral density is positive. 相似文献