Page 117 - Book of Abstracts
P. 117

th
                               8  Biannual Conference on Chemistry - CHEM 08

                         Experimental and Quantum Chemical Calculations of

                         Photoinduced {RuCl2(CO)2} Based Carbon Monoxide
                                             Releasing Complexes

                     Nourhan M Ibrahim*,  Nour T. Abdel-Ghani, and Ahmed M. Mansour
                      Chemistry Department, Cairo University, Faculty of Science, Gamma
                                          Street, Giza, Cairo 12613, Egypt.

                                                     ABSTRACT

                    A series of photo triggered {RuCl2(CO)2} carbon monoxide releasing
                    molecules was synthesized from {[RuCl2(CO)3]}2  and benzimidazol
                    derivatives (N-N),  functionalized with different electron-donating and
                    withdrawing groups, to afford octahedral complexes of the type cis-/trans-
                    [RuCl2(CO)2(N-N)]. The structures of the metal carbonyl complexes were
                    elucidated using different analytical and spectroscopic tools. The
                    geometrical stereochemistry around the metal ions was assigned by IR
                    spectroscopy and quantum chemical calculations. The dark stability in
                    aerated DMSO and the photoactivatable CO release properties were
                    investigated. With the aid of time-dependent density functional theory,
                    the influence of the substituent (type and position on the phenyl ring) on
                    the nature of the lowest energy transition was investigated.





































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