The amphoteric role of nitrogen in the NX2 unit within crystals


Por: Cortes-Guzman, Fernando, Carpio-Matinez, Pablo, de Dios Guzman-Hernandez, Juan, JANCIK, VOJTECH

Publicada: 5 dic 2022 Ahead of Print: 1 nov 2022
Resumen:
Hirshfeld atom refinement studies of hexachloro-cyclo-triphosphazene against high-resolution experimental data revealed the possibility of nitrogen acting simultaneously as a donor and acceptor in interactions with chlorine atoms, resulting in an NCl2 unit equivalent to the X-3 synthon reported for halogen (X) bonding. This paper describes the scenarios for the NCl2 unit found in crystals, its stability analysis, and the donor-acceptor features for each case. A similar analysis is also performed for NBr2 and NI2.

Filiaciones:
Cortes-Guzman, Fernando:
 Univ Nacl Autonoma Mexico, Inst Quim, Ciudad Univ, Ciudad De Mexico 04510, Mexico

Carpio-Matinez, Pablo:
 Univ Nacl Autonoma Mexico, Inst Quim, Ciudad Univ, Ciudad De Mexico 04510, Mexico

de Dios Guzman-Hernandez, Juan:
 Ctr Conjunto Invest Quim Sustentable UAEM UNAM, Car Toluca Atlacomulco Km 14-5, Toluca 50200, Estado De Mexic, Mexico

JANCIK, VOJTECH:
 Univ Nacl Autonoma Mexico, Inst Quim, Ciudad Univ, Ciudad De Mexico 04510, Mexico

 Ctr Conjunto Invest Quim Sustentable UAEM UNAM, Car Toluca Atlacomulco Km 14-5, Toluca 50200, Estado De Mexic, Mexico
ISSN: 14668033





Crystengcomm
Editorial
Royal Society of Chemistry, THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND, Reino Unido
Tipo de documento: Article
Volumen: 24 Número: 47
Páginas: 8229-8236
WOS Id: 000885093800001