Mapping molecular conformations with multiple-mode two-dimensional infrared spectroscopy
Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review
Author(s)
Detail(s)
| Original language | English |
|---|---|
| Pages (from-to) | 3357-3365 |
| Journal / Publication | Journal of Physical Chemistry A |
| Volume | 115 |
| Issue number | 15 |
| Publication status | Published - 21 Apr 2011 |
| Externally published | Yes |
Link(s)
Abstract
The multiple-mode two-dimensional infrared (2D-IR) spectrum in a broad frequency range from 1000 to 3200 cm?1 of a 1-cyanovinyl acetate solution in CCl4 is reported. By analyzing its relative orientations of the transition dipole moments of normal modes that cover vibrations of all chemical bonds, the three-dimensional molecular conformations and their population distributions of 1-cyanovinyl acetate are obtained, with the aid of quantum chemistry calculations that translate the experimental transition dipole moment cross angles into the cross angles among chemical bonds. © 2011 American Chemical Society.
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Citation Format(s)
Mapping molecular conformations with multiple-mode two-dimensional infrared spectroscopy. / Bian, Hongtao; Li, Jiebo; Wen, Xiewen et al.
In: Journal of Physical Chemistry A, Vol. 115, No. 15, 21.04.2011, p. 3357-3365.Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review
