Jump to main content
Jump to site search
Publishing
Advanced

Issue 38, 2007
Previous Article Next Article

[FeIII(tmdta)]––twist-boat/half-chairconformer ratio reliably deduced from DFT-calculated Raman spectra†

Roland Meier,*a   Joachim Maigut,a   Bernd Kallies,*b   Nicolai Lehnert,*c   Florian Paulat,c   Frank W. Heinemann,a   Gernot Zahn,d   Martin P. Feth,e   Harald Krautscheidf  and  Rudi van Eldika  
Author affiliations

* Corresponding authors

a Institute for Inorganic Chemistry, University of Erlangen-Nürnberg, Egerlandstraße 1, Germany

b Zuse Institute Berlin, Takustraße 7, Germany

c Department of Chemistry, The University of Michigan, 930 N. University, Ann Arbor, USA

d MPI für Chemische Physik fester Stoffe, Nöthnitzer Straße 40, Germany

e ALTANA Pharma AG, A Member of the NYCOMED Group, Physicochemical Research, Byk-Gulden-Straße 2, Germany

f Institute of Inorganic Chemistry, University of Leipzig, Johannisallee 29, Germany

Abstract

The equilibrium between the twist-boat (tb) and half-chair (hc) conformers of the central diamine chelate ring of [FeIII(tmdta)]– in solids and aqueous solution has been studied by Raman spectroscopy, supported by calculated Raman spectra using Density Functional Theory.

Graphical abstract: [FeIII(tmdta)]––twist-boat/half-chairconformer ratio reliably deduced from DFT-calculated Raman spectra

Back to tab navigation
Download options Please wait...

Supplementary files

Article information

https://doi.org/10.1039/B708437D
Submitted
04 Jun 2007
Accepted
10 Aug 2007
First published
20 Aug 2007
Chem. Commun., 2007, 3960-3962
Article type
Communication
Permissions
Request permissions

[FeIII(tmdta)]––twist-boat/half-chairconformer ratio reliably deduced from DFT-calculated Raman spectra

R. Meier, J. Maigut, B. Kallies, N. Lehnert, F. Paulat, F. W. Heinemann, G. Zahn, M. P. Feth, H. Krautscheid and R. van Eldik, Chem. Commun., 2007, 3960
DOI: 10.1039/B708437D

If you are not the author of this article and you wish to reproduce material from it in a third party non-RSC publication you must formally request permission using Copyright Clearance Center. Go to our Instructions for using Copyright Clearance Center page for details.

Authors contributing to RSC publications (journal articles, books or book chapters) do not need to formally request permission to reproduce material contained in this article provided that the correct acknowledgement is given with the reproduced material.

Reproduced material should be attributed as follows:

  • For reproduction of material from NJC:
    Reproduced from Ref. XX with permission from the Centre National de la Recherche Scientifique (CNRS) and The Royal Society of Chemistry.
  • For reproduction of material from PCCP:
    Reproduced from Ref. XX with permission from the PCCP Owner Societies.
  • For reproduction of material from PPS:
    Reproduced from Ref. XX with permission from the European Society for Photobiology, the European Photochemistry Association, and The Royal Society of Chemistry.
  • For reproduction of material from all other RSC journals and books:
    Reproduced from Ref. XX with permission from The Royal Society of Chemistry.

If the material has been adapted instead of reproduced from the original RSC publication "Reproduced from" can be substituted with "Adapted from".

In all cases the Ref. XX is the XXth reference in the list of references.

If you are the author of this article you do not need to formally request permission to reproduce figures, diagrams etc. contained in this article in third party publications or in a thesis or dissertation provided that the correct acknowledgement is given with the reproduced material.

Reproduced material should be attributed as follows:

  • For reproduction of material from NJC:
    [Original citation] - Reproduced by permission of The Royal Society of Chemistry (RSC) on behalf of the Centre National de la Recherche Scientifique (CNRS) and the RSC
  • For reproduction of material from PCCP:
    [Original citation] - Reproduced by permission of the PCCP Owner Societies
  • For reproduction of material from PPS:
    [Original citation] - Reproduced by permission of The Royal Society of Chemistry (RSC) on behalf of the European Society for Photobiology, the European Photochemistry Association, and RSC
  • For reproduction of material from all other RSC journals:
    [Original citation] - Reproduced by permission of The Royal Society of Chemistry

If you are the author of this article you still need to obtain permission to reproduce the whole article in a third party publication with the exception of reproduction of the whole article in a thesis or dissertation.

Information about reproducing material from RSC articles with different licences is available on our Permission Requests page.

Social activity

Search articles by author

Spotlight

Advertisements