σ- and π-Hole Interactions

• Other Authors: Frontera, Antonio (Editor)
• Format: Electronic Book Chapter
• Language: English
• Published: Basel, Switzerland MDPI - Multidisciplinary Digital Publishing Institute 2021
• Subjects: Research & information: general; Biology, life sciences; non-covalent interactions; regium bonds; silver(I); coinage metals; pyrazolates; phosphines; halogen bonding; hydrogen bonding sigma-hole interactions; theoretical studies; characterizations; noncovalent interactions; Lewis acids; Lewis bases; spodium bonds; σ/π-hole interactions; EDTA; 2,6-diaminopurine; cadmium; co-crystal; H-bonding; π-π stacking; triazinane; 1,3,5-Triazacyclohexane; Hirshfeld surface analysis; DFT study; C-H···π interaction; hybridization of a nitrogen atom in sulfonamides; molecular cocrystal; sandwiched-layer structure; C-I···F halogen bonds; π···π stacking interactions; PBE0-D3(BJ) calculations; secondary bonding; supramolecular; crystal engineering; tetrel bonding; pnictogen bonding; chalcogen bonding; selenium; structural chemistry; main group elements; π-hole interaction; substituent effects; vibrational spectroscopy; local vibrational mode theory; direct measure for π-hole interaction strength; noncovalent interaction; hydrogen bonding; nickel; Schiff bases; crystallography; σ-hole; π-hole; crystal growth; supramolecular chemistry; σ-hole interactions; self-assembly; scanning tunneling microscopy
• Online Access: DOAB: download the publication; DOAB: description of the publication

This book describes unconventional noncovalent interactions and analyzes their importance for crystal growth in organic and hybrid organic-inorganic systems. Several examples illustrate how the combination of theory and experiment allows rationalizing the strength and directionality of noncovalent i...