Position of protonation of 1,1,3,3-tetramethyl-2-nitroguanidine in strong acids

Price, E.; Barefoot, Rupert D.; Tompa, Albert S.; Lowe, James U.

doi:10.1021/j100865a010

Cited by 5 publications

(2 citation statements)

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“…17 The vibrational spectra of solid TMNG were measured for the first time. They are shown in Figs 2-4 and the band assignment is given in Table 1.…”

Section: Methodsmentioning

confidence: 99%

Vibrational spectra of 1,1,3,3-tetramethyl-2-nitroguanidine and their interpretation with the use of scaling of quantum-chemical force field

et al. 2008

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The IR (4000-50 cm -1 ) and Raman (3500-170 cm -1 ) spectra of solid 1,1,3,3 tetramethyl 2 nitroguanidine (TMNG) were obtained. The spectra were interpreted using the scaling of the TMNG quantum chemical force field in the B3LYP/6 311G(d,p) approximation. Transferable scale fac tors necessary for the interpretation of spectra of more complex related compounds were determined. The scaled harmonic force field is supposed to be used in the analysis of the available gas phase electron diffraction data for TMNG.

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“…17 The vibrational spectra of solid TMNG were measured for the first time. They are shown in Figs 2-4 and the band assignment is given in Table 1.…”

Section: Methodsmentioning

confidence: 99%

Vibrational spectra of 1,1,3,3-tetramethyl-2-nitroguanidine and their interpretation with the use of scaling of quantum-chemical force field

et al. 2008

View full text Add to dashboard Cite

show abstract

“…The position of protonation of 1,1,3,3-tetramethyl-2-nitroguanidine (TMNG) in strong acid has been shown to occur primarily at the dimethylamino site, b. 1 Lockhart,2 however, has presented evidence that proto- nation occurs primarily at the nitrimino site, a, in other methyl nitroguanidines such as l-methyl-2-nitroguanidine (MNG) and l,l-dimethyl-2-nitroguanidine (DM-NG). The evidence presented to support protonation at the amino site for TMNG and at the nitrimino site for MNG and DMNG was based on the proton magnetic resonance spectra of these compounds in concentrated nitric, sulfuric, and hydrochloric acids.…”

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confidence: 99%