Research On The Hole Adjustment Fluid Compounding Of Circuit Board Based On Quantum Chemical Calculation

As a basic electronic component,flexible printed circuit board has been widely used in the electronic information technology industry.In order to realize the interconnection of electronic components of each layer of the circuit board,it is necessary to carry out black hole electroplating copper treatment on the guide holes on the board.At present,the black hole method has problems such as poor electroplating effect caused by the poor modification effect of the whole hole solution on the substrate of the circuit board,and the black hole technology is basically monopolized by foreign companies.In view of the above problems and status quo,this paper proposes for the first time that the combination of theoretical simulation and experiment is used to study the compounding of the rectification solution,so as to strengthen the adsorption strength of carbon black particles deposited on the pore wall and improve the electroplating effect of the conductive layer.In this paper,theoretical simulation combined with experiments is used to study the interaction between the key components of the pore-forming solution and the substrate of the flexible printed circuit board,and then guide the screening of key components and optimize the rectification effect of the pore-forming solution on the surface of the substrate.The main research contents and conclusions are as follows:(1)The adsorption mechanism of cationic Gemini surfactant and polyimide substrate was revealed.The molecular structures of polyimide(PI)and three cationic Gemini surfactant(YANG1,YANG2,YANG3)were determined by simulation,and the structures of polyimide repeating units and three cationic Gemini surfactants were optimized.and single-point energy calculations.The orbital energy and orbital energy gap(ΔE)of the highest occupied molecular orbital(HOMO)and the lowest unoccupied molecular orbital(LUMO)of the three cationic Gemini surfactants molecules and polyimide repeating units are listed.The hydrophobic carbon chain of a cationic Gemini surfactant and the polyimide monomer structure have reaction sites in the pyromellitic dianhydride interval,while the YANG2 molecular orbital energy gap(ΔE)with amide bonds on the hydrophobic chain is the smallest and the structure is stable The worst in sex,and the best in theoretical reactivity.Combining the frontier orbital energy and electrostatic potential energy to obtain a stable dimer structure,the Shermo program was used to obtain the thermodynamic data of the monomer molecule and the dimer molecule to calculate the binding energy and free energy,and to study the change of thermodynamic parameters after the interaction of the molecular model.(2)The generation position,type and strength of the interaction between the cationic Gemini surfactant and the polyimide substrate were determined.Reduced density gradient analysis was performed on the optimized stable dimer structure,combined with RDG-sign(λ~2)ρcolor scattergram and RDG color-filled isosurface map to qualitatively determine the type,strength and role of weak interactions between complex molecules position;using Multiwfn software to perform topological analysis on the electronic structure characteristics of the interaction region between the atoms of the stable complex,and visualized by the visualization tool VMD to investigate the bonding type and strength of the corresponding chemical bonds.It was found that in the physical adsorption of polyimide and three cationic Gemini surfactants,the van der Waals force was the main driving force,and the hydrogen bond played an auxiliary role.(3)Research on compound formula of pore-forming agent.Combining the theory of surfactant self-assembly and the mechanism of action of the hole adjustment fluidby the black hole method,two non-ionic surfactants and cationic polymers were screened for compounding experiments with three selected cationic Gemini surfactants;the electrophoresis was tested by DTV test plate Due to the copper climbing effect,the liquid ratio of the whole hole with better performance is screened out.After the modification treatment,the DTV board can reach full holes in the high and low current density regions in only seven minutes,which is higher than the current industry hole conductivity standard.The experimental results of copper plating with compounded agents are in good agreement with the simulation results,which can be used to guide the compounding research of electroplating agents.