Quantitative vibrational dynamics of the metal site in a tin porphyrin: an IR, NRVS, and DFT study

Download
  1. Get@NRC: Quantitative vibrational dynamics of the metal site in a tin porphyrin: an IR, NRVS, and DFT study (Opens in a new window)
DOIResolve DOI: http://doi.org/10.1021/ic401152b
AuthorSearch for: ; Search for: ; Search for: ; Search for: ; Search for: ; Search for: ; Search for: ; Search for: ; Search for:
TypeArticle
Journal titleInorganic Chemistry
ISSN0020-1669
Volume52
Issue17
Pages99489953; # of pages: 6
AbstractWe used a newer, synchrotron-based, spectroscopic technique (nuclear resonance vibrational spectroscopy, NRVS) in combination with a more traditional one (infrared absorption, IR) to obtain a complete, quantitative picture of the metal center vibrational dynamics in a six-coordinated tin porphyrin. From the NRVS 119Sn site-selectivity and the sensitivity of the IR signal to 112Sn/119Sn isotope substitution, we identified the frequency of the antisymmetric stretching of the axial bonds (290 cm -1) and all the other vibrations involving Sn. Experimentally authenticated density functional theory (DFT) calculations aid the data interpretation by providing detailed normal mode descriptions for each observed vibration. These results may represent a starting point toward the characterization of the local vibrational dynamics of the metallic site in tin porphyrins and compounds with related structures. The quantitative complementariness between IR, NRVS, and DFT is emphasized.
Publication date
LanguageEnglish
AffiliationSecurity and Disruptive Technologies; National Research Council Canada
Peer reviewedYes
NPARC number21270447
Export citationExport as RIS
Report a correctionReport a correction
Record identifierc1721578-f5c1-4573-932a-8b02822c6c63
Record created2014-02-11
Record modified2016-05-09
Bookmark and share
  • Share this page with Facebook (Opens in a new window)
  • Share this page with Twitter (Opens in a new window)
  • Share this page with Google+ (Opens in a new window)
  • Share this page with Delicious (Opens in a new window)