Search results for "Benzonitrile"
showing 10 items of 65 documents
CCDC 1477138: Experimental Crystal Structure Determination
2017
Related Article: R.Bertani, M.Mozzon, P.Sgarbossa, S.Tamburini, M.Casarin, G.Mangione, G.Casella, A.Venzo, S.Rizzato, A.Albinati|2017|Inorg.Chim.Acta|455|489|doi:10.1016/j.ica.2016.07.015
CCDC 269569: Experimental Crystal Structure Determination
2007
Related Article: C.J.Gomez-Garcia, E.Coronado, S.Curreli, C.Gimemez-Saiz, P.Deplano, M.L.Mercuri, L.Pilia, A.Serpe, C.Faulmann, E.Canadell|2006|Chem.Commun.||4931|doi:10.1039/b610408h
CCDC 195708: Experimental Crystal Structure Determination
2003
Related Article: F.Thetiot, F.Berezovsky, S.Triki, J.S.Pala, C.J.Gomez-Garcia, A.A.Hajem, S.Bouguessa, J.-M.Fabre|2003|Comptes Rendus Chimie|6|291|doi:10.1016/S1631-0748(03)00046-8
CCDC 1868996: Experimental Crystal Structure Determination
2019
Related Article: Evgeny Bulatov, Matti Haukka|2019|Dalton Trans.|48|3369|doi:10.1039/C8DT03912G
CCDC 1864425: Experimental Crystal Structure Determination
2018
Related Article: Jamal Lasri, Naser Eltaher Eltayeb, Matti Haukka, Bandar A. Babgi|2019|Polyhedron|158|65|doi:10.1016/j.poly.2018.10.057
CCDC 982641: Experimental Crystal Structure Determination
2014
Related Article: Samia Benmansour, Eugenio Coronado, Carlos Giménez-Saiz, Carlos J. Gómez-García, Carola Rößer|2014|Eur.J.Inorg.Chem.||3949|doi:10.1002/ejic.201402023
Nanoporosity, Inclusion Chemistry, and Spin Crossover in Orthogonally Interlocked Two-Dimensional Metal-Organic Frameworks
2015
[Fe(tvp)(2)(NCS)(2)] (1) (tvp=trans-(4,4-vinylenedipyridine)) consists of two independent perpendicular stacks of mutually interpenetrated two-dimensional grids. This uncommon supramolecular conformation defines square-sectional nanochannels (diagonal approximate to 2.2nm) in which inclusion molecules are located. The guest-loaded framework 1@guest displays complete thermal spin-crossover (SCO) behavior with the characteristic temperature T-1/2 dependent on the guest molecule, whereas the guest-free species 1 is paramagnetic whatever the temperature. For the benzene-guest derivatives, the characteristic SCO temperature T-1/2 decreases as the Hammet sigma(p) parameter increases. In general, …
Bimetallic ruthenium-tin chemistry: synthesis and molecular structure of arene ruthenium complexes containing trichlorostannyl ligands
2010
A series of neutral, anionic and cationic arene ruthenium complexes containing the trichlorostannyl ligand have been synthesised from SnCl2 and the corresponding arene ruthenium dichloride dimers [(η6-arene)Ru(μ2-Cl)Cl]2 (arene = C6H6, PriC6H4Me). While the reaction with triphenylphosphine and stannous chloride only gives the neutral mono(trichlorostannyl) complexes [(η6-C6H6)Ru(PPh3)(SnCl3)Cl] (1) and [(η6-PriC6H4Me)Ru(PPh3)(SnCl3)Cl] (2), the neutral di(trichlorostannyl) complex [(η6-PriC6H4Me)Ru(NCPh)(SnCl3)2] (3) could be obtained for the para-cymene derivative with benzonitrile as additional ligand. By contrast, the analogous reaction with the benzene derivative leads to a salt compose…
Self-assembly of 1D- and 3D-networks through non-coordination intermolecular forces: synthesis and crystal structures of copper(I) complexes based on…
2007
Reaction of [Cu2(H3CCN)2(μ-pydz)3][PF6]2 (1) with an excess of pyridazine or phthalazine yielded the novel dinuclear complexes [Cu2(μ-pydz)3(pydz)2][PF6]2 (2) and [Cu2 (μ- pydz)(μ-phtz)2(phtz)2][PF6]2 (5), respectively. Depolymerisation of the coordination polymer 1 ∞ {[Cu(μ-pydz)2][PF6]} (3) in dichloromethane by addition of an excess of benzo[c]cinnoline afforded the dinuclear copper(I) salt [Cu2(μ-pydz)2(pydz)2(benzo[c]cinnoline)2][PF6]2 (4). Furthermore, a new route for the preparation of bis(benzonitrile)tris(μ-phthalazine)dicopper(I) bis(trifluoromethanesulfonate), [Cu2(C6H5CN)2(μ-phtz)3][CF3SO3]2 (7), was established from {[Cu(CF3SO3)]2 ・C6H5Me}, phthalazine and benzonitrile via the …
Understanding the molecular mechanism of the [3 + 2] cycloaddition reaction of benzonitrile oxide toward electron-richN-vinylpyrrole: a DFT study
2016
The [3 + 2] cycloaddition (32CA) reaction of benzonitrile oxide, BNO 2, with an electron-rich N-vinylpyrrole derivative, NVP 3a, in the presence of dichloromethane, has been theoretically studied using density functional theory (DFT) methods at the B3LYP/6-31G(d) level. This 32CA reaction presents a relatively high activation Gibbs free energy as a result of the low polar character of this zwitterionic-type (zw-type) reaction. Analyses of the calculated relative Gibbs free energies and transition state geometries indicate that the studied 32CA reaction, in excellent agreement with experimental outcomes, takes place in a complete regioselective manner as a consequence of the steric repulsion…