Benzene and Borazine, so Different, yet so Similar: Insight from Experimental Charge Density Analysis-Reference-Cited by-同舟云学术

Benzene and Borazine, so Different, yet so Similar: Insight from Experimental Charge Density Analysis

Published:2022-04-26 Issue:18 Volume:61 Page:6785-6798
ISSN:0020-1669
Container-title:Inorganic Chemistry
language:en
Short-container-title:Inorg. Chem.

Author:

Merino-García María del Rosario¹,Soriano-Agueda Luis Antonio²,Guzmán-Hernández Juan de Dios¹,Martínez-Otero Diego¹²,Landeros Rivera Bruno³^ORCID,Cortés-Guzmán Fernando¹²^ORCID,Barquera-Lozada José Enrique²^ORCID,Jancik Vojtech¹²^ORCID

Affiliation:

1. Centro Conjunto de Investigación en Química Sustentable UAEM-UNAM, Carretera Toluca-Atlacomulco, km. 14.5, Toluca, Estado de México C.P. 50200, México

2. Universidad Nacional Autónoma de México, Instituto de Química, Ciudad Universitaria, Circuito Exterior s/n, Ciudad de México 04510, México

3. CNRS, Laboratoire de Chimie Théorique, LCT, Sorbonne Université, Paris 75005, France

Funder

Direcci?n General de Asuntos del Personal Acad?mico, Universidad Nacional Aut?noma de M?xico

Consejo Nacional de Ciencia y Tecnolog?a

Publisher

American Chemical Society (ACS)

Subject

Inorganic Chemistry,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.inorgchem.1c03923

Reference124 articles.

1. Borwasserstoffe, IX.: B 3 N 3 H 6

2. The molecular and solid‐state structure of borazine has been determined at 115 and 160 K by single‐crystal X‐ray crystallography. The molecular structure has C 2 symmetry with small deviations from the expected D 3 h symmetry. The mean value of the BN bond length is 1.429(1) A and the interbond angles of the six‐membered ring are 117.1(1)° at the boron atoms and 122.9(1)° at the nitrogen atoms (mean values). Similar to benzene an unambiguous assignment of the molecular symmetry is not possible. — The crystal packing is not comparable to any known phase of benzene, and surprisingly the molecules are not stacked having coplanar rings. Instead, the molecules are found in tilted layers. No significant intermolecular interaction could be detected. The generated difference electron density maps show the typical distribution pattern for polar bonds.

3. (c)Steudel, R. The Chemistry of Inorganic Ring Systems; Elsevier, 1992; pp. 486.

4. (a)Cotton, F. A.; Wilkinson, G. Advanced Inorganic Chemistry; Willey & Sons, Interscience Publishers, 1972; pp. 257.

5. (b)Greenwood, N. N.; Earnshaw, A. Chemistry of the Elements; Butterworth-Heinmann, 1997; pp. 210.

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