Study of the Halogen Bonding between Pyridine and Perfluoroalkyl Iodide in Solution Phase Using the Combination of FTIR and 19F NMR
Joint Authors
Hanks, Timothy
Wood, Elizabeth
Fan-Hagenstein, Haiyan
Smith, Jessica
Hawthorne, Briauna
Source
International Journal of Spectroscopy
Issue
Vol. 2013, Issue 2013 (31 Dec. 2013), pp.1-10, 10 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2013-06-11
Country of Publication
Egypt
No. of Pages
10
Main Subjects
Abstract EN
Halogen bonding between pyridine and heptafluoro-2-iodopropane (iso-C3F7I)/heptafluoro-1-iodopropane (1-C3F7I) was studied using a combination of FTIR and 19F NMR.
The ring breathing vibration of pyridine underwent a blue shift upon the formation of halogen bonds with both iso-C3F7I and 1-C3F7I.
The magnitudes of the shifts and the equilibrium constants for the halogen-bonded complex formation were found to depend not only on the structure of the halocarbon, but also on the solvent.
The halogen bond also affected the Cα-F (C-F bond on the center carbon) bending and stretching vibrations in iso-C3F7I.
These spectroscopic effects show some solvent dependence, but more importantly, they suggest the possibility of intermolecular halogen bonding among iso-C3F7I molecules.
The systems were also examined by 19F NMR in various solvents (cyclohexane, hexane, chloroform, acetone, and acetonitrile).
NMR dilution experiments support the existence of the intermolecular self-halogen bonding in both iso-C3F7I and 1-C3F7I.
The binding constants for the pyridine/perfluoroalkyl iodide halogen bonding complexes formed in various solvents were obtained through NMR titration experiments.
Quantum chemical calculations were used to support the FTIR and 19F NMR observations.
American Psychological Association (APA)
Hawthorne, Briauna& Fan-Hagenstein, Haiyan& Wood, Elizabeth& Smith, Jessica& Hanks, Timothy. 2013. Study of the Halogen Bonding between Pyridine and Perfluoroalkyl Iodide in Solution Phase Using the Combination of FTIR and 19F NMR. International Journal of Spectroscopy،Vol. 2013, no. 2013, pp.1-10.
https://search.emarefa.net/detail/BIM-455322
Modern Language Association (MLA)
Hawthorne, Briauna…[et al.]. Study of the Halogen Bonding between Pyridine and Perfluoroalkyl Iodide in Solution Phase Using the Combination of FTIR and 19F NMR. International Journal of Spectroscopy No. 2013 (2013), pp.1-10.
https://search.emarefa.net/detail/BIM-455322
American Medical Association (AMA)
Hawthorne, Briauna& Fan-Hagenstein, Haiyan& Wood, Elizabeth& Smith, Jessica& Hanks, Timothy. Study of the Halogen Bonding between Pyridine and Perfluoroalkyl Iodide in Solution Phase Using the Combination of FTIR and 19F NMR. International Journal of Spectroscopy. 2013. Vol. 2013, no. 2013, pp.1-10.
https://search.emarefa.net/detail/BIM-455322
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-455322