Generation and photoreactions of 2,4,6-trinitreno-1,3,5-triazine, a septet trinitrene

Tadatake Sato; Aiko Narazaki; Yoshizo Kawaguchi; Hiroyuki Niino; Götz Bucher; Dirk Grote; J Jens Wolff; Hans Henning Wenk; Wolfram Sander

doi:10.1021/ja031794v

Generation and photoreactions of 2,4,6-trinitreno-1,3,5-triazine, a septet trinitrene

J Am Chem Soc. 2004 Jun 30;126(25):7846-52. doi: 10.1021/ja031794v.

Authors

Tadatake Sato¹, Aiko Narazaki, Yoshizo Kawaguchi, Hiroyuki Niino, Götz Bucher, Dirk Grote, J Jens Wolff, Hans Henning Wenk, Wolfram Sander

Affiliation

¹ Photonics Research Institute, National Institute of Advanced Industrial Science and Technology (AIST), 1-1-1 Higashi, Tsukuba, Ibaraki 305-8565, Japan. sato-tadatake@aist.go.jp

PMID: 15212532
DOI: 10.1021/ja031794v

Abstract

We have studied the matrix photolysis of 2,4,6-triazido-1,3,5-triazine (cyanuric triazide, 1). Stepwise generation of the corresponding mononitrene, dinitrene, and trinitrene was observed by matrix IR and electron paramagnetic resonance (EPR) spectroscopy. The generated species were identified by comparison of their matrix IR spectra with density functional theory (DFT) computational results. The generation of 2,4,6-trinitreno-1,3,5-triazine with a septet ground state was confirmed for the first time by matrix EPR spectroscopy. The trinitrene readily decomposed into three NCN molecules upon further photoirradiation. This process was also confirmed by matrix EPR spectroscopy.