How different is the borazine–acetylene dimer from the benzene–acetylene dimer? A matrix isolation infrared and ab initio quantum chemical study
Author:
Affiliation:
1. Department of Chemical Sciences, Indian Institute of Science Education and Research Mohali, SAS Nagar, India
2. Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur, India
Funder
Department of Science and Technology, Ministry of Science and Technology
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
https://www.tandfonline.com/doi/pdf/10.1080/00268976.2017.1284357
Reference28 articles.
1. Thermally induced borazine dehydropolymerization reactions. Synthesis and ceramic conversion reactions of a new high-yield polymeric precursor to boron nitride
2. CVD Growth of Boron Nitride Nanotubes
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.
4. Structure of borazine
5. The infrared spectra of borazine and its isotopic species. Assignment of the a2″ fundamental modes
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