Azaborinines: Structures, Vibrational Frequencies, and Polarizabilities
Author:
Affiliation:
1. Chemistry Department, University of New Brunswick, Fredericton, NB, Canada E3B 6E2
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp980778v
Reference48 articles.
1. Revision of the extended Hantzsch-Widman system of nomenclature for heteromonocycles
2. Borwasserstoffe, IX.: B 3 N 3 H 6
3. Structure of borazine
4. 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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1. Recent Advance of 1,2-BN Heteroaromatics in China;Chinese Journal of Organic Chemistry;2023
2. A DFT study on 1,4-dihydro-1,4-azaborinine annulated linear polyacenes: Absorption spectra, singlet-triplet energy gap, aromaticity, and HOMO-LUMO energy modulation;Journal of Computational Chemistry;2017-08-07
3. Synthesis and structures of monocyclic 1,4-diaza-2,3-diborine species;Inorganic Chemistry Communications;2015-11
4. Antiaromaticity to Aromaticity: From Boroles to 1,2-Azaborinines by Ring Expansion with Azides;Chemistry - A European Journal;2014-06-25
5. How often is the minimum polarizability principle violated?;Chemical Physics Letters;2013-01
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