Photodissociation Reaction of 1,2-Diiodoethane in Solution:  A Theoretical and X-ray Diffraction Study

Various molecular species are known to form during the photoreaction of C2H4I2 in the gas phase and in solution. We have studied all species involved in this reaction by ab initio and density functional theory (DFT) calculations:  Geometries, energies, and vibrational frequencies of C2H4I2, bridged...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2005-11, Vol.109 (45), p.10451-10458
Hauptverfasser:	Kong, Qingyu, Kim, Joonghan, Lorenc, Maciej, Kim, Tae Kyu, Ihee, Hyotcherl, Wulff, Michael
Format:	Artikel
Sprache:	eng
Schlagworte:	Computer Simulation Hydrocarbons, Iodinated - chemistry Models, Chemical Photochemistry Quantum Theory Solutions - chemistry X-Ray Diffraction
Online-Zugang:	Volltext
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