Near-infrared combination and overtone bands of the CH2 sequence in CH2X2, CH2XCHX2, and CH3(CH2)5CH3 and their characteristic frequency zones

Applied Spectroscopy
Reikichi IwamotoToshihiko Matsuda

Abstract

We characterized near-infrared spectra of the CH2 sequence in CH2X2 (X=halogen), CH2ClCHCl2, and CH3(CH2)5CH3. Each near-infrared absorption in the region from 3500 to 10,000 cm-1 is consistently assigned to one of the five different combination or overtone groups, in the order of increasing frequency, of the {[v(CH)]+[delta(CH)]} (A), {[v(CH)]+[2delta(CH)]} (B), [2v(CH)] (C), {[2v(CH)]+[delta(CH)]} (D), and [3v(CH)] (E) types, where v(CH) and delta(CH) denote the CH stretching and CH deformation normal modes, respectively. Each group has its own characteristic frequency zone. The bands of B, D, and E, which are second-order combinations or overtones, are weaker by 1/10-1/50 than those of A and C, which are first-order combinations or overtones. The near-infrared spectra of the CH2 sequence show "window zones" of very weak or no absorptions. This suggests that we can perceive the characteristic near-infrared bands of a functional group through the window zones, and we give an example to demonstrate this. The first-order combination bands of type A only of CH2X2 are reasonably assigned to a pair of the normal modes of v(CH) and delta(CH). From this we predict that the first-order combination bands should give structural informat...Continue Reading

References

Sep 10, 2005·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Reikichi Iwamoto, Toshihiko Matsuda
Nov 1, 2005·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Reikichi IwamotoHiroshi Kusanagi
Dec 1, 2005·Applied Spectroscopy·Reikichi IwamotoToshihiko Matsuda
Dec 12, 2007·Applied Spectroscopy·Reikichi Iwamoto, Toshihiko Matsuda

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Citations

Jan 14, 2012·The Journal of Chemical Physics·Seyithan UlasManfred M Kappes
Nov 7, 2012·The Journal of Chemical Physics·AnGayle K VasiliouG Barney Ellison
Oct 14, 2011·The Journal of Chemical Physics·Iain D Mackie, Gino A DiLabio
Sep 16, 2015·Chemical Reviews·Mirosław Antoni CzarneckiYukihiro Ozaki
Oct 4, 2006·Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences·Jennifer L Gottfried
Jun 23, 2010·The Journal of Physical Chemistry. a·Reikichi Iwamoto

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