Intermolecular atom-atom bonds in crystals - a chemical perspective.

Area of Science:

• Chemistry
• Molecular Biology
• Crystallography

Background:

• Specific intermolecular bonding is crucial for molecular interactions.
• Understanding hydrogen bonds is key in various scientific disciplines.

Purpose of the Study:

• To highlight the significance of short atom-atom distances in identifying intermolecular bonding.
• To demonstrate the utility of these distances in assessing hydrogen bond strength, including weak interactions.

Main Methods:

• Analysis of crystallographic data to determine atom-atom distances.
• Computational chemistry methods to model and analyze intermolecular interactions.

Main Results:

• Short interatomic distances reliably indicate specific intermolecular forces.
• The study confirms the role of these distances in evaluating hydrogen bonds, from strong to weak C-H⋯O and C-H⋯F bonds.

Conclusions:

• Short atom-atom distances are a robust indicator of intermolecular bonding.
• This metric provides a valuable tool for assessing the significance of diverse hydrogen bond types in molecular structures.