By extensively sortation of different bond energy data from the present literature, professor Jinpei Cheng’s research group has created the first professional and authoritative internet bond energy databank (pKa and BDE) - iBonD (http://ibond.nankai.edu.cn). This database provides a firm theoretical foundation for synthetic route design, mechanistic studies and product distribution predictions. The major value of the database in both the academia and the industry lies in its ability to promote chemical research to a more theoretical foundation.

Presently, this database includes more than 22,000 pKa parameters in different solvents. As a fundamental function the database also offers a powerful search engine. By now, the pKa section has been put into service, and service is welcome to researchers free of charge. For the BDE section, the Cheng group has organized more than 20,000 pieces of organic compound BDE parameters, and contents of this part will be made public to users very soon. In the subsequent work, the Cheng group will keep on supplementing and refining the bond energy parameters in the database, and perform updating and maintenance to the database continuously.