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High Evaluation from an International Counterpart of Academician Cheng Jinpei on the Internet Bond-energy Databank
2017-02-13

Recently, the bond-energy databank (iBonD 2.0) established by Academician Cheng Jinpei’s group has received high value from Prof. Herbert Mayr from University of Munich, a well-known physical organic chemist and member of the German Academy of Sciences. He specifically published a paper entitled “The Most Efficient Way to Find pKa Values” on ChemistryViews.

Mayr points out in the work that iBonD 2.0 is organic chemist’s best friends given the fact that it currently covers more than 32,000 pKa values of over 20,000 compounds in various solvents and BDE of 5,000 compounds, which makes it the most comprehensive online edition data pool internationally and its convenient retrieval functions such as searching by name, formula or structure meet the needs of users. The BDE parameters involve not only homolysis and heterolysis energies of compounds but parameters of their corresponding free radical intermediates. What’s more, it offers related reference search function to ensure a better experience for users and reliability of data, which is vital for designing new compounds, developing novel reactions, investigating reaction mechanisms and building as well as optimizing computational chemistry models.

iBonD 2.0 grows out of iBonD 1.0 launched in March 2016. After elaborating literature searching, sifting and arrangement of Cheng’s group, it now has become the first most comprehensive and professional online version of BDE parameters worldwide. It is compatible with multiple systems and can be used on personal computers and mobile phones. It’s free of charge and regular renewal and maintenance are secured for pleasant and reliable user experience. Its URL is http://ibond.nankai.edu.cn or http://ibond.chem.tsinghua.edu.cn and uses and suggestions are warmly welcomed.

The establishment of such data base undoubtedly brings itself with profound effect on chemistry research, as Zhou Wenneng, the Deputy Director of Department of Basic Research, Ministry of Science and Technology puts it, “The completion of iBond embodies the responsibility of the scientific and technological circles. It fills the blank of domestic and international work and plays an important role in promoting the influence of China on international chemistry world.