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51.
Infrared spectroscopy (IR) of formyl fluoride (HCOF) dimer is studied in low-temperature argon and krypton matrixes. New IR absorptions, ca. 17 cm(-1) blue shifted from the monomer C-H stretching fundamental, are assigned to the HCOF dimer. The MP2/6-311++G calculations were utilized to define structures and harmonic frequencies of various HCOF dimers. Among the four optimized structures, the dimer having two C-H...O hydrogen bonds possesses strongest intermolecular bonding. The calculated harmonic frequencies of this dimer structure are shifted from the monomer similarly as observed in the experiment. Thus, we suggest that the experimentally observed blue shifted C-H bands belong to the dimer with two C-H...O hydrogen bonds. This observation includes the HCOF dimer to the class of hydrogen bonded complexes showing blue shift in their vibrational energies. 相似文献
52.
Aittoniemi J Róg T Niemelä P Pasenkiewicz-Gierula M Karttunen M Vattulainen I 《The journal of physical chemistry. B》2006,110(51):25562-25564
Using extensive atomistic simulations, we show that there is a single experimentally accessible parameter--the sterol tilt--that can be used to determine a sterol's capability to induce order, and thus to promote, e.g., formation of lipid rafts. The observations also facilitate designing new effective sterols. 相似文献
53.
Jussi Väisälä 《Results in Mathematics》2003,43(3-4):359-372
We give a necessary and sufficient quantitative geometric condition for an unbounded set A ? Rn to have the following property with a given c > 0: For every ε ≥ 0 and for every map f: A → Rn such that , there is an isometry T: A → Rn such that ¦Tx?fx¦ ≤ cε for all x ∈ A. 相似文献
54.
[chemical reaction: see text]. An improved procedure for the direct reductive amination of aldehydes was developed which uses dibutyltin dichloride as catalyst in the presence of phenylsilane as reductant. Rapid reaction is promoted by the use of microwave conditions with anilines, secondary and primary amines being suitable reactants. 相似文献
55.
Schatte G Chivers T Tuononen HM Suontamo R Laitinen R Valkonen J 《Inorganic chemistry》2005,44(2):443-451
The hydrolysis of (t)BuNTe(mu-N(t)Bu)(2)TeN(t)Bu (1) with 1 or 2 equiv of (C(6)F(5))(3)B.H(2)O results in the successive replacement of terminal imido groups by oxo ligands to give the telluroxane-Lewis acid adducts (C(6)F(5))(3)B.OTe(mu-N(t)Bu)(2)TeN(t)Bu (2) and [(C(6)F(5))(3)B.OTe(mu-N(t)Bu)(2)Te(mu-O)](2) (3), which were characterized by multinuclear NMR spectroscopy and X-ray crystallography. The Te=O distance in 2 is 1.870(2) A. The di-adduct 3 involves the association of four (t)()BuNTeO monomers to give a tetramer in which both terminal Te=O groups [d(TeO) = 1.866(3) A] are coordinated to B(C(6)F(5))(3). The central Te(2)O(2) ring in 3 is distinctly unsymmetrical [d(TeO) = 1.912(3) and 2.088(2) A]. The X-ray structure of (C(6)F(5))(3)B.NH(2)(t)()Bu (4), the byproduct of these hydrolysis reactions, is also reported. The geometries and energies of tellurium(IV) diimides and imido telluroxanes were determined using quantum chemical calculations. The calculated energies for the reactions E(NR)(2) + Te(NR)(2) (E = S, Se, Te; R = H, Me, (t)Bu, SiMe(3)) confirm that cyclodimerization of tellurium(IV) diimides is strongly exothermic. In the mixed-chalcogen systems, the cycloaddition is energetically favorable for the Se/Te combination. The calculated energies for the further oligomerization of the dimers XE(mu-NMe)(2)EX (E = Se, Te; X = NMe, O) indicate that the formation of tetramers is strongly exothermic for the tellurium systems but endothermic (X = NMe) or thermoneutral (X = O) for the selenium systems, consistent with experimental observations. 相似文献
56.
Sinikka Pinnioja Marja Siitari-Kauppi Jussi Jernstr m Antero Lindberg 《Radiation Physics and Chemistry》1999,55(5-6):743-747
Laboratory irradiated rock and mineral samples were studied for their luminescence properties. The effect of alteration of feldspars on luminescence intensity was determined by the autoradiographic method for porphyritic granodiorite planar rock samples and with the TL reader for crushed minerals. Feldspars and quartz exhibited more intensive luminescence than mafic minerals, and luminescence of fresh K feldspar was the most intense. Potassium concentration did not have any effect on luminescence intensity for K feldspars but the intensity was highly dependent on the alteration degree of the mineral. Decrease in luminescence was found without a change in the element composition of the mineral and alteration was due to sericitization of K feldspar. 相似文献
57.
Jussi Laitila 《Journal of Mathematical Analysis and Applications》2005,308(2):730-745
Weak compactness of the analytic composition operator f?f○φ is studied on BMOA(X), the space of X-valued analytic functions of bounded mean oscillation, and its subspace VMOA(X), where X is a complex Banach space. It is shown that the composition operator is weakly compact on BMOA(X) if X is reflexive and the corresponding composition operator is compact on the scalar-valued BMOA. A concrete example is given which shows that BMOA(X) differs from the weak vector-valued BMOA for infinite dimensional Banach spaces X. 相似文献
58.
Aarne Pajunen Ilpo Mutikainen Anssi Haikarainen Jussi Sipil Pekka Pietikinen 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):e321-e322
The title compound, [Cu(C66H68N2O2P2)]Cl2·6CDCl3, consists of complex cations, chloride ions and deuterochloroform solvate molecules. The complex cation crystallizes in two different conformations. In both cases, CuII ions lie on twofold axes and the geometry around them is slightly distorted square planar. The dihedral angles between the N/Cu/N and O/Cu/O planes are 5.6 (9) and 3.9 (10)° for molecules A and B, respectively. 相似文献
59.
60.