Search results for "bonding"
showing 10 items of 996 documents
Computational Analysis of n→π* Back-Bonding in Metallylene-Isocyanide Complexes R2MCNR′ (M = Si, Ge, Sn; R = tBu, Ph; R′ = Me, tBu, Ph)
2013
A detailed computational investigation of orbital interactions in metal–carbon bonds of metallylene–isocyanide adducts of the type R2MCNR′ (M = Si, Ge, Sn; R, R′ = alkyl, aryl) was performed using density functional theory and different methods based on energy decomposition analysis. Similar analyses have not been carried out before for metal complexes of isocyanides, even though the related carbonyl complexes have been under intense investigations throughout the years. The results of our work reveal that the relative importance of π-type back-bonding interactions in these systems increases in the sequence Sn < Ge ≪ Si, and in contrast to some earlier assumptions, the π-component cannot be …
Bond and work ruptures in group counseling
2021
Objective: The aim of this study is to explore the immediate effects of group counseling ruptures. Group ruptures were defined as discrepancies between (1) the member’s bonding and working ratings in a session and the member’s average bonding and working across all sessions, (2) the member’s bonding and working in a session and the group-as-a-whole’s (across all members and sessions) bonding and working, and (3) the member’s average bonding and working across all sessions and the group-as-a-whole’s bonding and working. Method: Participants were 232 counseling students (199 women and 33 men; age: M = 22.78, SD = 3.51) who participated in one of 13, 7-session, interpersonal process groups. At…
Conductive and Capacitive Properties of the Bipolar Membrane Junction Studied by AC Impedance Spectroscopy
2001
The complete ac impedance spectrum of four bipolar membranes is analyzed both theoretically and experimentally taking into account both ionic transport and water dissociation together with the structural aspects of the bipolar junction. A theoretical model based on the Nernst-Planck and Poisson equations for the conductive and capacitive properties of the junction provides a qualitative description of the bipolar membranes for a broad range of electric currents and temperatures. Special attention is paid to the characteristics of the bipolar junction structure and the contact region between the two ion-exchange layers. It is observed that the effective area of this region increases with the…
Analysis on channel bonding/aggregation for multi-channel cognitive radio networks
2010
Channel bonding/aggregation techniques, which assemble several channels together as one channel, could be used in cognitive radio networks for the purpose of achieving better bandwidth utilization. In existing work on this topic, channel bonding/aggregation is focused on the cases when primary channels are time slotted or stationary as compared with secondary users' activities. In this paper, we analyze the performance of channel bonding/aggregation strategies when primary channels are not time slotted and the time scale of primary activities is at the same level as the secondary users', given that spectrum handover is not allowed. Continuous time Markov chain models are built in order to a…
Using a neural network for qualitative and quantitative predictions of weld integrity in solid bonding dominated processes
2014
Solid-state bonding occurs in several manufacturing processes, as Friction Stir Welding, Porthole Die Extrusion and Roll Bonding. Proper conditions of pressure, temperature, strain and strain rate are needed in order to get effective bonding in the final component. In the paper, a neural network is set up, trained and used to predict the bonding occurrence starting from the results of specific numerical models developed for each process. The Plata-Piwnik criterion was used in order to define a quantitative parameter taking into account the effectiveness of the bonding. Excellent predictive capability of the network is obtained for each process.
Analytical bonding criteria for joint integrity prediction in friction stir welding of aluminum alloys
2014
Abstract In this study, two bonding criteria, previously used for porthole die extrusion, are applied to FSW starting from the local value of the main field variables calculated through a specifically developed 3D numerical model of the process. Their applicability and effectiveness have been assessed through an experimental and numerical campaign carried out with the main process parameters varying in a wide range. The pressure–time–flow criterion was demonstrated to be better suited for FSW processes when large welding speed is used.
Carboranylphosphinic Acids: A New Class of Purely Inorganic Ligands
2015
Purely inorganic carboranyl phosphinates were prepared, and the influence of the cluster on the reactivity of the phosphinate group was studied. Electron-withdrawal by the carboranyl carbon atoms, combined with space-filling efficiency and enhanced aromaticity of the cluster cage, renders the phosphorus more difficult to oxidize. This enables carboranyl phosphinates to survive harsh oxidizing conditions, a property which is uncommon in organic phosphinates.
Reversible self-assembly of metal chalcogenide/metal oxide nanostructures based on Pearson hardness.
2010
Nanotechnology has reached a stage of development where not individual nanoparticles but rather systems of greater complexity are the focus of concern. These complex structures incorporate two or more types of materials, an example of which is the formation of metal–semiconductor hybrids, which effectively combine the properties of both materials. The assembly of multicomponent nanoparticles from constituents with different optical, electrical, magnetic, and chemical properties can lead to novel functionalities that are independent of the individual components and may be tailored to fit a specific application. These applications include such far-reaching challenges as solar energy conversio…
A robust nanoporous supramolecular metal–organic framework based on ionic hydrogen bonds
2014
International audience; Hydrogen-bond assembly of tripod-like organic cations [H3-MeTrip]3+ (1,2,3-tri(4′-pyridinium-oxyl)-2-methylpropane) and the hexa-anionic complex [Zr2(oxalate)7]6− leads to a structurally, thermally, and chemically robust porous 3D supramolecular framework showing channels of 1 nm in width. Permanent porosity has been ascertained by analyzing the material at the single-crystal level during a sorption cycle. The framework crystal structure was found to remain the same for the native compound, its activated phase, and after guest resorption. The channels exhibit affinities for polar organic molecules ranging from simple alcohols to aniline. Halogenated molecules and I2 …
Concerted Halogen-Bonded Networks with N-Alkyl Ammonium Resorcinarene Bromides: From Dimeric Dumbbell to Capsular Architectures
2015
N-Alkyl ammonium resorcinarene bromides and 1,4-diiodooctafluorobutane via multiple intermolecular halogen bonds (XB) form different exotic supramolecular architectures through subtle changes of the upper rim substituents. Dimeric dumbbell-like assembly with encapsulated guest molecules is generated with N-benzyl substituents. The N-hexyl groups engender an XB-induced polymeric pseudocapsule and an XB-induced dimeric capsule with entrapped 1,4-dioxane guest molecules. The N-propyl and N-cyclohexyl groups generate deep cavity cavitands. The deep cavity cavitands possess cavities for self-inclusion leading to polymeric herringbone arrangement in one direction and that pack into 3D polymeric a…