English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
  Weak interactions in chain polymers [M(μ-X)2L2]∞ (M = Zn, Cd; X = Cl, Br; L = substituted pyridine) – an electron density study

Wang, R., Lehmann, C. W., & Englert, U. (2009). Weak interactions in chain polymers [M(μ-X)2L2]∞ (M = Zn, Cd; X = Cl, Br; L = substituted pyridine) – an electron density study. Acta Crystallographica Section B, 65(Part 5), 600-611. doi:10.1107/S0108768109028626.

Item is

Files

show Files

Locators

show

Creators

show
hide
 Creators:
Wang, Ruimin1, 2, Author
Lehmann, Christian W.2, Author              
Englert, Ulli1, Author
Affiliations:
1Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1, D-52074 Aachen, Germany, ou_persistent22              
2Service Department Lehmann (EMR), Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445625              

Content

show
hide
Free keywords: chain polymers; electron density distribution; topological analyses
 Abstract: The experimental electron-density distributions in crystals of five chain polymers [M(μ-X)2(py)2] (M = Zn, Cd; X = Cl, Br; py = 3,5-substituted pyridine) have been obtained from high-resolution X-ray diffraction data sets (sin θ/λ > 1.1 Å−1) at 100 K. Topological analyses following Bader's `Atoms in Molecules' approach not only confirmed the existence of (3, −1) critical points for the chemically reasonable and presumably strong covalent and coordinative bonds, but also for four different secondary interactions which are expected to play a role in stabilizing the polymeric structures which are unusual for Zn as the metal center. These weaker contacts comprise intra- and inter-strand C—H⋯X—M hydrogen bonds on the one hand and C—X⋯X—C interhalogen contacts on the other hand. According to the experimental electron-density studies, the non-classical hydrogen bonds are associated with higher electron density in the (3, −1) critical points than the halogen bonds and hence are the dominant interactions both with respect to intra- and inter-chain contacts.

Details

show
hide
Language(s): eng - English
 Dates: 2009-10-01
 Publication Status: Published in print
 Pages: 12
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1107/S0108768109028626
 Degree: -

Event

show

Legal Case

show

Project information

show

Source 1

show
hide
Title: Acta Crystallographica Section B
  Other : Acta Crystallogr. Sect. B
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: New York : Wiley
Pages: - Volume / Issue: 65 (Part 5) Sequence Number: - Start / End Page: 600 - 611 Identifier: ISSN: 0108-7681
CoNE: https://pure.mpg.de/cone/journals/resource/954925468299