OSU Navigation Bar

The Ohio State University University Libraries Knowledge Bank

MICROWAVE SPECTRA, MOLECULAR STRUCTURES AND INTERNAL DYNAMICS OF H$_{2}$S$\cdots$ICF$_{3}$ and H$_{2}$O$\cdots$ICF$_{3}$ REVEALED BY BROADBAND ROTATIONAL SPECTROSCOPY

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/52607

Show full item record

Files Size Format View
abstract.gif 61.31Kb GIF image Thumbnail of MICROWAVE SPECTRA, MOLECULAR STRUCTURES AND INTERNAL DYNAMICS OF H$_{2}$S$\cdots$ICF$_{3}$ and H$_{2}$O$\cdots$ICF$_{3}$ REVEALED BY BROADBAND ROTATIONAL SPECTROSCOPY
H2S_ICF3.pptx 884.0Kb Microsoft PowerPoint 2007 View/Open
Slide1.GIF 28.67Kb GIF image Thumbnail of MICROWAVE SPECTRA, MOLECULAR STRUCTURES AND INTERNAL DYNAMICS OF H$_{2}$S$\cdots$ICF$_{3}$ and H$_{2}$O$\cdots$ICF$_{3}$ REVEALED BY BROADBAND ROTATIONAL SPECTROSCOPY
Slide2.GIF 25.08Kb GIF image Thumbnail of MICROWAVE SPECTRA, MOLECULAR STRUCTURES AND INTERNAL DYNAMICS OF H$_{2}$S$\cdots$ICF$_{3}$ and H$_{2}$O$\cdots$ICF$_{3}$ REVEALED BY BROADBAND ROTATIONAL SPECTROSCOPY
Slide3.GIF 148.5Kb GIF image Thumbnail of MICROWAVE SPECTRA, MOLECULAR STRUCTURES AND INTERNAL DYNAMICS OF H$_{2}$S$\cdots$ICF$_{3}$ and H$_{2}$O$\cdots$ICF$_{3}$ REVEALED BY BROADBAND ROTATIONAL SPECTROSCOPY
Slide4.GIF 33.08Kb GIF image Thumbnail of MICROWAVE SPECTRA, MOLECULAR STRUCTURES AND INTERNAL DYNAMICS OF H$_{2}$S$\cdots$ICF$_{3}$ and H$_{2}$O$\cdots$ICF$_{3}$ REVEALED BY BROADBAND ROTATIONAL SPECTROSCOPY
Slide5.GIF 30.83Kb GIF image Thumbnail of MICROWAVE SPECTRA, MOLECULAR STRUCTURES AND INTERNAL DYNAMICS OF H$_{2}$S$\cdots$ICF$_{3}$ and H$_{2}$O$\cdots$ICF$_{3}$ REVEALED BY BROADBAND ROTATIONAL SPECTROSCOPY
Slide6.GIF 22.17Kb GIF image Thumbnail of MICROWAVE SPECTRA, MOLECULAR STRUCTURES AND INTERNAL DYNAMICS OF H$_{2}$S$\cdots$ICF$_{3}$ and H$_{2}$O$\cdots$ICF$_{3}$ REVEALED BY BROADBAND ROTATIONAL SPECTROSCOPY
Slide7.GIF 23.16Kb GIF image Thumbnail of MICROWAVE SPECTRA, MOLECULAR STRUCTURES AND INTERNAL DYNAMICS OF H$_{2}$S$\cdots$ICF$_{3}$ and H$_{2}$O$\cdots$ICF$_{3}$ REVEALED BY BROADBAND ROTATIONAL SPECTROSCOPY
Slide8.GIF 20.62Kb GIF image Thumbnail of MICROWAVE SPECTRA, MOLECULAR STRUCTURES AND INTERNAL DYNAMICS OF H$_{2}$S$\cdots$ICF$_{3}$ and H$_{2}$O$\cdots$ICF$_{3}$ REVEALED BY BROADBAND ROTATIONAL SPECTROSCOPY
Slide9.GIF 19.15Kb GIF image Thumbnail of MICROWAVE SPECTRA, MOLECULAR STRUCTURES AND INTERNAL DYNAMICS OF H$_{2}$S$\cdots$ICF$_{3}$ and H$_{2}$O$\cdots$ICF$_{3}$ REVEALED BY BROADBAND ROTATIONAL SPECTROSCOPY
Slide10.GIF 27.64Kb GIF image Thumbnail of MICROWAVE SPECTRA, MOLECULAR STRUCTURES AND INTERNAL DYNAMICS OF H$_{2}$S$\cdots$ICF$_{3}$ and H$_{2}$O$\cdots$ICF$_{3}$ REVEALED BY BROADBAND ROTATIONAL SPECTROSCOPY
Slide11.GIF 21.86Kb GIF image Thumbnail of MICROWAVE SPECTRA, MOLECULAR STRUCTURES AND INTERNAL DYNAMICS OF H$_{2}$S$\cdots$ICF$_{3}$ and H$_{2}$O$\cdots$ICF$_{3}$ REVEALED BY BROADBAND ROTATIONAL SPECTROSCOPY
Slide12.GIF 52.35Kb GIF image Thumbnail of MICROWAVE SPECTRA, MOLECULAR STRUCTURES AND INTERNAL DYNAMICS OF H$_{2}$S$\cdots$ICF$_{3}$ and H$_{2}$O$\cdots$ICF$_{3}$ REVEALED BY BROADBAND ROTATIONAL SPECTROSCOPY

Title: MICROWAVE SPECTRA, MOLECULAR STRUCTURES AND INTERNAL DYNAMICS OF H$_{2}$S$\cdots$ICF$_{3}$ and H$_{2}$O$\cdots$ICF$_{3}$ REVEALED BY BROADBAND ROTATIONAL SPECTROSCOPY
Creators: Walker, N. R.; Stephens, S. L.; Legon, A. C.
Issue Date: 2012
Publisher: Ohio State University
Abstract: The rotational spectra of three isotopologues of H$_{2}$S$\cdots$ICF$_{3}$ and four isotopologues of H$_{2}$O$\cdots$ICF$_{3}$ have been measured between 7 and 18.5 GHz by chirped-pulse Fourier transform microwave spectroscopy. The rotational constant, {\it{B}}$_{0}$, the centrifugal distortion constants, {\it{D}}$_{\it{J}}$ and {\it{D}}$_{\it{JK}}$, and the nuclear quadrupole coupling constant of $^{127}$I, ${\chi}_{aa}$(I), are precisely determined for H$_{2}$S$\cdots$ICF$_{3}$ and H$_{2}$O$\cdots$ICF$_{3}$ by fitting observed transitions to the Hamiltonians appropriate to {\it{symmetric}} tops. The measured rotational constants allow determination of the molecular geometries. The {\it{C}}$_{2}$ axis of H$_{2}$O / H$_{2}$S intersects the {\it{C}}$_{3}$ axis of the CF$_{3}$I sub-unit at the oxygen atom. The {\it{r}}$_{0}$ lengths of halogen bonds identified between iodine and sulphur, {\it{r}}{(S$\cdots$I)}, and iodine and oxygen, {\it{r}}(O$\cdots$I), are determined to be 3.5589(2) {\r{A}} and 3.0517(18) {\r{A}} respectively. The angle, $\phi$, between the local {\it{C}}$_{2}$ axis of the H$_{2}$S / H$_{2}$O sub-unit and the {\it{C}}$_{3}$ axis of CF$_{3}$I is found to be 93.7(2)$^irc}$ in H$_{2}$S$\cdots$ICF$_{3}$ and 34.4(20)$^irc}$ in H$_{2}$O$\cdots$ICF$_{3}$. The observed symmetric top spectra imply nearly free internal precession of the {\it{C}}$_{2}$ axis of the hydrogen sulphide/water unit about the {\it{C}}$_{3}$ axis of CF$_{3}$I in each of these complexes. Additional transitions of H$_{2}$$^{16}$O$\cdots$ICF$_{3}$, D$_{2}$$^{16}$O$\cdots$ICF$_{3}$ and H$_{2}$$^{18}$O$\cdots$ICF$_{3}$ can only be assigned using Hamiltonians appropriate to asymmetric tops, suggesting that the effective rigid-rotor fits employed do not completely represent the internal dynamics of H$_{2}$O$\cdots$ICF$_{3}$.
Description: Author Institution: School of Chemistry, University of Bristol, Bristol, BS8 1TS, U.K.
URI: http://hdl.handle.net/1811/52607
Other Identifiers: 2012-MH-10
Bookmark and Share