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Ambient Conditions. (ambient + conditions)
Selected AbstractsA Two-Dimensional, Hydrogen-Bond-Cross-Linked Molybdenum(VI) Network Polymer with Catalytic ActivityEUROPEAN JOURNAL OF INORGANIC CHEMISTRY, Issue 9 2007Yi Luan Abstract The new hybrid inorganic,organic polymer [MoO2Cl2(H2O)2]·(H2dipy-pra)Cl2 (1), where dipy-pra = 1,3-bis(4-pyridyl)propane, has been synthesized and crystallographically characterized. MoO2Cl2(H2O)2 and the [H2dipy-pra]2+ cation are cross-linked by Mo,H2O···Cl and H2dipy-pra···Cl hydrogen bonds to form a two-dimensional layer structure. Complex 1 is an efficient catalyst, with H2O2 as the oxygen-source oxidant and NaHCO3 as the cocatalyst, in the epoxidation of olefinic compounds under ambient conditions.(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007) [source] Current-Voltage Characterisation of Monolayer-Supported Au-Nanoclusters by Scanning Tunnelling Microscopy under Ambient ConditionsEUROPEAN JOURNAL OF INORGANIC CHEMISTRY, Issue 18 2005Volker Jacobsen Abstract The current-voltage characteristics of a double-tunnel junction based on a gold crystallite with a diameter of ca. 2 nm, separated from a gold surface by ca. 1 nm was investigated by scanning tunnelling microscopy. The sample architecture was built by attaching gold nanoparticles covered with 2-mercaptosuccinic acid to an atomically flat gold surface which was covered by a self-assembled monolayer (SAM) of 6-amino-1-hexanethiol. Surface plasmon and infrared spectroscopy as well as STM imaging were employed to identify suitable preparation conditions and prove the existence of the desired architecture. No reproducible steps in the current-voltage characteristics are observed on this system under ambient conditions. Nonetheless, a sound signature for tunnelling through the double-tunnel junction is established by a quantitative fit of the averaged experimental data to a theoretical model of a single-tunnel junction. Firstly, the current on the particle is strongly reduced at low absolute external voltage and secondly the current voltage characteristics are asymmetric. Since both deviations from theory are absent in reference experiments on the bare monolayer, they may serve as a robust signature for double-tunnel junctions and open the door to the investigation of single-electron tunnelling under ambient conditions. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005) [source] The magnetic moments and their long-range ordering for Fe atoms in a wide variety of metallic environmentsINTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Issue 15 2010A. Ayuela Abstract The magnitudes of Fe magnetic moments, together with their long-range ordering when appropriate, are compared and contrasted in a variety of metallic environments. Thus, Fe, in its stable body-centered-cubic (bcc) phase under ambient conditions, is considered under pressures p, which can yield different crystal structures at high p, including fcc. The modification of the ferromagnetism in bcc Fe is surveyed as one passes through a bc-tetragonal lattice to the fcc form. In the latter, evidence is presented, both from theory and experiment, that the ordering is antiferromagnetic in character. Then, binary metallic alloys with Fe atoms as the majority component are considered, Fe,Co and Fe,Ga being focal points in both ordered and disordered materials. Finally, some discussion is given, involving again both experiment and theory, of the possible spin polarization of neighboring Cs atoms when Fe impurity atoms are inserted into the low conduction electron density characterizing this heavy alkali metal under ambient conditions. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2010 [source] First principles study of small palladium cluster growth and isomerizationINTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Issue 7 2007Chen Luo Abstract Structures and physical properties of small palladium clusters Pdn up to n = 15 and several selected larger clusters were studied using density functional theory under the generalized gradient approximation. It was found that small Pdn clusters begin to grow 3-dimensionally at n = 4 and evolve into symmetric geometric configurations, such as icosahedral and fcc -like, near n = 15. Several isomers with nearly degenerate average binding energies were found to coexist and the physical properties of these clusters were calculated. For several selected isomers, relatively moderate energy barriers for structural interchange for a given cluster size were found, implying that isomerization could readily occur under ambient conditions. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2007 [source] | ||||||||||