Abstract: Metal clusters at zero oxidation sate are found to have very good applications in medical and bio-medical field of research including drug designing. Very recently organometallic carbonyl clusters of group 8 elements are tested as very good contrast agent for photoacoustic spectroscopy based live cell imaging. Quantum computation based investigation is initiated by Bag and Ghorai to improve contrast behavior of this class of compounds. In this article I have presented the efficiency of glucose modified bicyclophosphite derivative of tri-ruthenium carbonyl clusters as photoacoustic contrast agent. I have studied the effect of number of substitutions. In my calculation solvent effect is also included.