Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/21308
Title: Photochemistry of iodoform in methanol : formation and fate of the iso-CHI2-I photoproduct
Authors: El-Khoury, PZ
Kwok, WM 
Guan, X
Ma, C
Phillips, DL
Tarnovsky, AN
Keywords: Density functional calculations
Iodoform
Isomerization
Photochemistry
Solvent effects
Issue Date: 2009
Publisher: Wiley-Blackwell
Source: Chemphyschem, 2009, v. 10, no. 11, p. 1895-1900 How to cite?
Journal: ChemPhysChem 
Abstract: Ultrafast population and structural dynamics due to the iso-CHI 2-I isomer product formed upon UV excitation of iodoform (CHI 3) in solution is monitored by femtosecond transient absorption with deep-UV through near-IR probing and picosecond transient resonance Raman spectroscopy. Iso-CHI2-I is found to be a major photochemical product regardless of excitation wavelength (266 and 350 nm) and choice of solvent (methanol, acetonitrile, and cyclohexane), and is produced in 50% quantum yield upon 266 nm excitation of CHI3 in CH3OH. The isomer remains stable up to at least several nanoseconds in C6H12 and CH3CN, but undergoes decay with a 740 ps lifetime in CH 3OH simultaneously with the formation of an iodide ion. In agreement with the experiments, MP2 calculations suggest that iso-CHI2-I readily reacts with CH3OH via O-H insertion/HI elimination reactions.
URI: http://hdl.handle.net/10397/21308
DOI: 10.1002/cphc.200900122
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