Key Features


  1. Comprehensiveness: The iBonD database is the most comprehensive database on this subject which includes almost all the currently available data in literature on bond dissociation energies, both heterolytic (pKa) and homolytic (BDE), reported by far.

  2. Reliability: Each parameter in this database is from well documented experiment and has been subjected to a careful evaluation process. The details of how the data was measured and the related information can be found in the reference provided.

  3. Convenience: The iBonD is the first bond energy database in chemical community that supports various searching modes, such as Similarity or Substructure search, and Atom/Bond Query, etc. These user-friendly searching modes will meet the preference of various users with different searching requirement.

  4. Tagging on the Dissociation Point: The specific position(s) of bond dissociation in a molecule is highlighted with blue bold according to its acidity order. This is necessary for the dissociation of polyacids.

  5. Reference Link: the reference(s) for the corresponding BDE or pKa will appear when users simply move the mouse pointer on the data without clicking, whereas the fulltext downloading page (if available) will be shown by clicking. The format of the reference is ACS style by default.

  6. Dual Mode for Searching and Browsing (compound classification): The former mode enables the user to locate the specific data quickly and accurately, and the latter will give general information on the magnitude of bond energy for a series of compounds sharing the similar structure or functional group.