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This book deals Spectral investigations, Inhibition efficiency and analysis of 5-chloro-2-nitroanisole as pi-spacer with donor-acceptor variations effect for DSSCs performance.Furthermore, the first hyperpolarizability of 5-chloro-2-nitroanisole was calculated and the results were discussed. This result indicates that 5-chloro-2-nitroanisole is a good candidate of nonlinear optical materials. The preferred active sites for the electrophilic and nucleophilic reactions are also identified by the Fukui indices of 5-chloro-2-nitroanisole.