A relaxation-assisted 2D IR spectroscopy method.
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 approximately 3.1 and approximately 6.5 A, respectively. A 6-fold increase in cross-peak amplitude was observed in 4-acetylbenzonitrile when the dual-frequency RA 2DIR method was used.
Kurochkin
Dmitry V
DV
Department of Chemistry, Tulane University, New Orleans, LA 70118, USA.
Naraharisetty
Sri Ram G
SR
Rubtsov
Igor V
IV
D002244:Carbon / Q000737:chemistry; D003374:Coumarins / Q000737:chemistry; D015394:Molecular Structure; D009570:Nitriles / Q000737:chemistry; D009584:Nitrogen / Q000737:chemistry; D010100:Oxygen / Q000737:chemistry; D013055:Spectrophotometry, Infrared / Q000379:methods*; D013997:Time Factors; D014732:Vibration
C469959:3-cyanocoumarin; D003374:Coumarins; D009570:Nitriles; D002244:Carbon; D009584:Nitrogen; D010100:Oxygen