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A relaxation-assisted 2D IR spectroscopy method
- Kurochkin, Dmitry V., Naraharisetty, Sri Ram G., Rubtsov, Igor V.
- Proceedings of the National Academy of Sciences of the United States of America 2007 v.104 no.36 pp. 14209-14214
- coumarins, energy, equipment performance, infrared spectroscopy, nitriles, vibration
- A method of two-dimensional infrared (2D IR) spectroscopy called relaxation-assisted 2D IR (RA 2DIR) is proposed that utilizes vibrational energy relaxation transport in molecules to enhance cross-peak amplitudes. This method substantially increases the range of distances accessible by 2D IR and is capable of identifying long-range connectivity patterns in molecules. RA 2DIR is illustrated in interactions among CN and CO modes in 3-cyanocoumarin and 4-acetylbenzonitrile, where the distances between the CN and CO groups are [almost equal to]3.1 and [almost equal to]6.5 Å, respectively. A 6-fold increase in cross-peak amplitude was observed in 4-acetylbenzonitrile when the dual-frequency RA 2DIR method was used.