Front Cover: Revisiting a Historical Concept by Using Quantum Crystallography: Are Phosphate, Sulfate and Perchlorate Anions Hypervalent? (Chem. Eur. J. 26/2019). Issue 26 (25th March 2019)

• Record Type: Journal Article
• Authors: Fugel, Malte; Malaspina, Lorraine A.; Pal, Rumpa; Thomas, Sajesh P.; Shi, Ming W.; Spackman, Mark A.; Sugimoto, Kunihisa; Grabowsky, Simon
• Is Part Of: Chemistry. Volume 25:Issue 26(2019)
• Page Start: 6455
• Page End: 6455
• Publication Date: 2019-03-25
• Subjects: complementary bonding analysis -- hypervalency -- quantum crystallography -- X-ray wavefunction refinement; Chemistry -- Periodicals; 540
• DOI: 10.1002/chem.201901181
• Languages: English
• ISSNs: 0947-6539

Abstract

Abstract : Hypervalency is a historical chemical concept that has made it into the common language of researchers, although it is still highly debatable. The cover art depicts one of the main messages of the present study: Lewis structure representations are not sufficient to understand chemical bonding, but a complementary bonding analysis employing real‐space, orbital and energy information must be applied instead. Such an analysis for the fundamental isoelectronic anions phosphate, sulfate, and perchlorate is carried out using theoretical and experimentally constrained wavefunctions. More information can be found in the Full Paper by S. Grabowsky et al. on page 6523 .