Topic
Hexazine
About: Hexazine is a research topic. Over the lifetime, 10 publications have been published within this topic receiving 220 citations. The topic is also known as: hexaazabenzene.
Papers
TL;DR: In this article, a review of the coordination chemistry of cyclic catenated nitrogen ligands is presented, focusing on the more accessible five-membered 1,2,3-triazole and 1, 2,3,4-tetrazole ring systems.
Abstract: Publisher Summary This chapter presents a review that complements earlier information dealing with transition metal complexes of triazenes, tetrazenes, tetraazadienes, and pentaazadienes. The chapter also examines the coordination chemistry of related cyclic catenated nitrogen ligands. Six-membered rings containing three, four, or five adjacent nitrogen atoms- 1,2,3-triazines, 1,2,3,4-tetrazines, and pentazines, respectively -are either unknown or are relatively unstable species whose coordination chemistry has yet to be explored. Consequently the discussion is essentially concerned with the chemistry of the more accessible five-membered 1,2,3-triazole and 1,2,3,4-tetrazole ring systems. Discussion of complexes containing related N, S heterocyclic ligands, notably 1,2,3,4-thiatriazoline-5-thione and 1,2,3,4-tetrazoline-5-thione, is selective. The chapter examines in brief prospects for the isolation of complexes containing higher nitrogen ligands, in particular the pentazolate anion ( cyclo -N 5 – ) and the hexazine molecule (cyclo- N 6 – ). The chapter highlights some of the important spectroscopic results obtained for triazole and triazolate complexes. The chapter discusses ligands containing the tetrazole ring system, including the parent tetrazole, various nitrogen- and/or carbon-substituted tetrazoles, 1,5-pentamethylenetetrazole, and the cyclized tautomer of 2-azidopyridine. Tetrazoles combine readily with transition metal halides to form adducts, many of which are polymeric and deposit from solution as insoluble precipitates.
87 citations
TL;DR: In this paper, a planar hexagonal ring with minima at C6v geometry was found, which corresponds to an η6 complex of a metal with planar N6 ring.
45 citations
TL;DR: In this paper, the structure of six nitrogen atom species (N 6 ) was reconsidered using high-level ab initio calculations using harmonic vibrational wavenumbers obtained at the MP2/6-31G(d) level.
34 citations
TL;DR: In this article, the same model and the same type of orbital-overlap arguments also account for heterocyclic and inorganic benzene analogues, such as s-triazine (C3N3H3), hexazine (N6), borazine (B3N 3H6), B3O 3H3, Si6H6, and hexaphosphabenzene (P6).
Abstract: Recently, we presented a molecular orbital (MO) model of aromaticity that explains, in terms of simple orbital-overlap arguments, why benzene (C6H6) has a regular structure with delocalized double bonds. Here, we show that the same model and the same type of orbital-overlap arguments also account for heterocyclic and inorganic benzene analogues, such as s-triazine (C3N3H3), hexazine (N6), borazine (B3N3H6), boroxine (B3O3H3), hexasilabenzene (Si6H6), and hexaphosphabenzene (P6). Our MO model is based on accurate Kohn–Sham density-functional theory (DFT) analyses of the bonding in the seven model systems, and how the bonding mechanism is affected if these molecules undergo geometrical deformations between regular, delocalized ring structures and distorted ones with localized double bonds. It turns out that also in the heterocyclic and inorganic benzene analogues, the propensity of the π electrons is always to localize the double bonds, against the delocalizing force of the σ electrons. The latter in general prevails, yielding the regular, delocalized ring structures. Interestingly, we find one exception to this rule: N6.
28 citations
TL;DR: In this article, the HF, MP2, and DFT structures of neutral (N 6 ) and monoprotonated hexazine, nitrogen analogues of benzene, were discussed.
20 citations
Related Topics (5)
Performance Metrics
| Year | Papers |
|---|---|
| 2017 | 1 |
| 2016 | 1 |
| 2013 | 1 |
| 2011 | 1 |
| 2008 | 2 |
| 2006 | 1 |