English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
  Reversible crystal-to-crystal phase transition of a 4,4′-bipyridine-linked dinuclear copper(II) complex

Seidel, R. W., Goddard, R., Breidung, J., Bamfaste, P., Neff, D., & Oppel, I. M. (2013). Reversible crystal-to-crystal phase transition of a 4,4′-bipyridine-linked dinuclear copper(II) complex. Structural Chemistry, 24(1), 181-189. doi:10.1007/s11224-012-0044-9.

Item is

Files

show Files

Locators

show

Creators

show
hide
 Creators:
Seidel, Rüdiger W.1, Author
Goddard, Richard2, Author              
Breidung, Jürgen3, Author              
Bamfaste, Peter4, Author
Neff, Dirk4, Author
Oppel, Iris M.5, Author
Affiliations:
1Lehrstuhl für Analytische Chemie, Ruhr-Universität Bochum, Universitätsstraße 150, 44780 Bochum, Germany, ou_persistent22              
2Service Department Lehmann (EMR), Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445625              
3Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445590              
4Mettler-Toledo GmbH, Ockerweg 3, 35396 Giessen, Germany, ou_persistent22              
5Institut für Anorganische Chemie, Rheinisch-Westfälische Technische Hochschule Aachen, Landoltweg 1, 52074 Aachen, Germany, ou_persistent22              

Content

show
hide
Free keywords: Polymorphism; Coordination compound; Crystal structure; Differential scanning calorimetry; Density functional theory
 Abstract: The crystal-to-crystal phase transition of the previously reported dinuclear Ci-symmetric complex [{Cu(NO3)2(phen)}2(4,40-bipy)] (1) (phen = 1,10-phenanthroline; 4,40-bipy = 4,40-bipyridine) [Seidel et al. (2011) Z Anorg 637:1545–1554, 10] was studied in detail by differential scanning calorimetry (DSC), powder X-ray diffraction and variable temperature determinations of the unit cell parameters on a single-crystal. A density functional theory (DFT) study was undertaken to elucidate effects of crystal packing on the molecular structure in the solid-state. The DFT study confirmed that the molecular structures of 1 found in the solid-state do not represent the minimum energy conformation of the free molecule, especially with respect to the twist of the 4,40-bipy bridging ligand. The DSC analysis revealed that the phase transition is a fully reversible process, and suggests that the relationship between the dimorphic forms of 1 is enantiotropic.

Details

show
hide
Language(s): eng - English
 Dates: 2012-04-112012-05-042012-05-302013-02-01
 Publication Status: Published in print
 Pages: 9
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1007/s11224-012-0044-9
 Degree: -

Event

show

Legal Case

show

Project information

show

Source 1

show
hide
Title: Structural Chemistry
  Other : Struct. Chem.
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: US : Springer Science+Business Media
Pages: 9 Volume / Issue: 24 (1) Sequence Number: - Start / End Page: 181 - 189 Identifier: ISSN: 1572-9001
ISSN: 1040-0400
CoNE: https://pure.mpg.de/cone/journals/resource/954925587334