Article
Crystal Structure of the Explosive Parent Benzyne Precursor: 2-Diazoniobenzenecarboxylate Hydrate
Chemische Berichte
Abstract
The structure of the highly unstable benzyne precursor 2-diazoniobenzenecarboxylate (3) has been determined by single-crystal X-ray diffraction. The structure is discussed in comparison to ab initio results for several conformers of 3, related aromatic diazonium ions, and phenyl cation and also to crystal structures of simple diazonium ion salts and of benzoates. Structural features and characteristic distortions are related to the electron density distributions and to intra- and intermolecular interactions between the neighboring functional groups.
Department(s)
Chemistry
Keywords and Phrases
- 2-Diazoniobenzenecarboxylate,
- Benzyne Precursor,
- Calculations,
- Ab Initio,
- MO,
- Incipient Nucleophilic Attack,
- Neighboring Group Interactions
Document Type
Article - Journal
Document Version
Citation
File Type
text
Language(s)
English
Rights
© 1993 Wiley-Blackwell, All rights reserved.
Publication Date
1-1-1993
Publication Date
01 Jan 1993
Disciplines
Citation Information
Christopher J. Horan, Charles Leslie Barnes and Rainer Glaser. "Crystal Structure of the Explosive Parent Benzyne Precursor: 2-Diazoniobenzenecarboxylate Hydrate" Chemische Berichte Vol. 126 Iss. 1 (1993) p. 243 - 249 ISSN: 0009-2940 Available at: http://works.bepress.com/rainer-glaser/47/