Gas-Phase Ion Chemistry of Borazine, an Inorganic Analogue of Benzene-Reference-Cited by-同舟云学术

Gas-Phase Ion Chemistry of Borazine, an Inorganic Analogue of Benzene

Published:1999-11-17 Issue:48 Volume:121 Page:11204-11210
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Chiavarino Barbara¹,Crestoni Maria Elisa¹,Marzio Annito Di¹,Fornarini Simonetta¹,Rosi Marzio¹

Affiliation:

1. Contribution from the Dipartimento di Studi di Chimica e Tecnologia delle Sostanze Biologicamente Attive, Università di Roma “La Sapienza”, P.le A. Moro 5, I-00185 Roma, Italy, and Centro di Studi CNR Calcolo Intensivo in Scienze Molecolari, Dipartimento di Chimica, Università di Perugia, Via Elce di Sotto 8, 06100 Perugia, Italy

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja992220m

Reference63 articles.

1. Azaborinines: Structures, Vibrational Frequencies, and Polarizabilities

2. Structure of borazine

3. 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.

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