To solve this problem, follow these steps:1. Build the molecular structure of the ruthenium-based complex with two bipyridine molecules and one 2,2'-bipyridine-4,4'-dicarboxylic acid molecule as ligands. You can use molecular modeling software like Gaussian, ORCA, or NWChem for this purpose.2. Perform geometry optimization of the complex using an appropriate ab initio method, such as density functional theory DFT or a wavefunction-based method like MP2 or CCSD T . Choose a suitable basis set, such as LANL2DZ for the transition metal and 6-31G d for the ligands. Ensure that the optimized structure is a local minimum by checking that all vibrational frequencies are positive.3. Calculate the electronic structure of the optimized complex, including the molecular orbitals, electron density, and spin density. Analyze the distribution of the molecular orbitals and the contribution of the ruthenium atom and ligands to the frontier orbitals HOMO and LUMO .4. Determine the energetics of the complex, such as the total energy, ionization potential, electron affinity, and excitation energies. You can use the same ab initio method as in step 2 or a higher-level method like TD-DFT or EOM-CCSD for excited states.5. Compare the calculated properties geometry, electronic structure, and energetics to available experimental data, such as X-ray crystal structures, UV-Vis absorption spectra, and redox potentials. Evaluate the accuracy of the theoretical approach used by comparing the deviations between the calculated and experimental values.6. Discuss the accuracy of the theoretical approach used in the context of the specific problem. Consider factors such as the choice of ab initio method, basis set, and any approximations made. If necessary, suggest possible improvements to the theoretical approach to obtain better agreement with experimental data.By following these steps, you will be able to determine the electronic structure and energetics of the ruthenium-based complex using ab initio calculations and compare the results to experimental data. This will provide insights into the accuracy of the theoretical approach used and help guide future studies on similar transition metal complexes.