| Exchange Coupling Mediated by N-H···Cl Hydrogen Bonds: Experimental and Theoretical Study of the Frustrated Magnetic System in Bis(o-phenylenediamine)nickel(II) Chloride. | |
| | |
MedLine Citation:
|
PMID: 22512477 Owner: NLM Status: Publisher |
Abstract/OtherAbstract:
|
The title compound crystallizes in the monoclinic P2(1)/c space group with a = 11.2470(3) Å, b = 5.9034(2) Å, c = 12.0886(3) Å, β = 115.143(1)°, and V = 726.58(4) Å(3) and consists of discrete monomeric NiCl(2)(o-phenylendiamine)(2) molecules. Each o-phen ligand coordinates in a bidentate mode with the chloride ions occupying trans positions in the resulting tetragonally distorted octahedral coordination sphere. Two discrete sets of N-H···Cl hydrogen bonds link the octahedral molecules into a two-dimensional network, with type 1 interactions linking adjacent monomers along the c axis and type 2 interactions linking monomers along the diagonals in the bc plane. Analysis of the magnetic data reveals the existence of weak antiferromagnetic coupling within the layers via these hydrogen bonds, in addition to the presence of zero field splitting, with the best fit obtained for a 1d antiferromagnetic model with g = 2.0917(7), J/k = -2.11(4) K [J = -1.47(3) cm(-1)], and D = 1.05(3) cm(-1) [β = D/|J| = 0.72(6)] for the model with D > 0 and g = 2.0911(6), J/k = -2.26(1) K [J = -1.57(1) cm(-1)], and D = -0.86(1) cm(-1) [β = D/|J| = 0.55(6)] for the model with D < 0. Theoretical calculations of the exchange coupling confirm the experimental results, yielding values of J(1) = -1.39 cm(-1) for the type 1 hydrogen bonds and J(2)/k = -0.56 cm(-1) for the type 2 hydrogen bonds. |
| | |
Authors:
|
Roger D Willett; Carlos J Gómez-García; Brendan Twamley; Silvia Gómez-Coca; Eliseo Ruiz |
Related Documents
:
|
14653677 - Comparative effects of conjugated and deconjugated isomeric enones on the transannular ... 22559487 - Theoretical investigation of rare gas hydride cations: hrgn(2) (+) (rg=he, ar, kr, and ... 16294347 - Synthesis of donor-acceptor alkynylcyclopropanes by diastereoselective cyclopropanation... 12568617 - Concise total syntheses of the bioactive mesotricyclic diterpenoids jatrophatrione and ... 23297797 - The mqn-mapplet: visualization of chemical space with interactive maps of drugbank, che... 22026437 - Observation of liquid crystal formation during melting of d-(+)-glucose. |
Publication Detail:
|
Type: JOURNAL ARTICLE Date: 2012-4-18 |
Journal Detail:
|
Title: Inorganic chemistry Volume: - ISSN: 1520-510X ISO Abbreviation: - Publication Date: 2012 Apr |
Date Detail:
|
Created Date: 2012-4-19 Completed Date: - Revised Date: - |
Medline Journal Info:
|
Nlm Unique ID: 0366543 Medline TA: Inorg Chem Country: - |
Other Details:
|
Languages: ENG Pagination: - Citation Subset: - |
Affiliation:
|
Department of Chemistry, Washington State University , Pullman, Washington 99164, United States. |
Export Citation:
|
APA/MLA Format Download EndNote Download BibTex |
| MeSH Terms | |
Descriptor/Qualifier:
|
|
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
Previous Document: Recent developments in buccal and sublingual delivery systems.
Next Document: A Review of Animal and Human Studies for Management of Benign Prostatic Hyperplasia with Natural Pro...