Page 109 - Book of Abstracts
P. 109

th
                               8  Biannual Conference on Chemistry - CHEM 08

                         Experimental and Quantum Chemical Calculations of

                           Photoinduced Based Carbon Monoxide Releasing

                                                    Complexes
                     Nourhan M Ibrahim,* Nour T. Abdel-Ghani, and Ahmed M. Mansour
                        Chemistry Department Cairo University, Faculty of Science Cairo
                                University, Gamma Street, Giza, Cairo 12613, Egypt
                                               nour38448@gmail.com

                                                     ABSTRACT
                    A  series  of  photo  triggered  carbon  monoxide  releasing  molecules  was
                    synthesized  from 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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