Preparation of ¹⁵N‐¹³C‐fulminic acid

Abstract

Keywords: 2-I3C-ethyl benzoylacetate; 3-phenyl-4-13C-isoxazol-5-(4H)-one; 15N-13C-fulminic acid Summary: The precursor for fhe rifle compound wasprepared in a three-sfep synfhesb The 13C-label was incorporated in the fust step employing 2-13C-ethyl acetote and the ISN-label in the last step, using15N-sodium nihite. Upon pyrolysis the precursor fomis three fragments, one ofthem being the title contpound.

Product channels in the 193-nm photodissociation of HCNO (fulminic acid)

“…As discussed previously [8], this is roughly consistent with the relevant kinetics; k 12 ~ 1.2 ×10 -11 cm 3 molecule -1 s -1 [8], and k 3 = (1.04 ± 0.1) ×10 -10 cm 3 molecule -1 s -1 [4]. Based on the rate constants involved, we estimate that about 30 Torr of C 2 D 6 is needed for reaction (12) to suppress most of reaction (3). The data was therefore fit to an empirical three parameter exponential equation, as shown in Figure 5.…”

“…HCNO samples were synthesized as previously described [8,[12][13][14] 1,2,3 by flash vacuum pyrolysis of 3-phenyl-4-oximino-isoxazol-5(4H)-one. Sample purity was characterized by FT-IR spectroscopy via a strong HCNO absorption band at 2195 cm -1 [15], and a strong HNCO band at 2168 cm -1 [16].…”

A density functional investigation of the reaction mechanism of H2O + HCNO

“…HCNO is formed in combustion primarily by the CH 2 + NO [2][3][4][5] and HCCO + NO [6][7][8][9][10][11] reactions, and can be synthesized by vacuum pyrolysis of 3-phenyl-4-oximinoisoxazol-5(4H)-one [12][13][14]. Several experimental [15][16][17][18] and computational studies [19][20][21] on the kinetics of HCNO have been reported.…”

“…HCNO, named Fulminic acid, is an important intermediate in NO‐reburning processes for the reduction of NO x pollutant emissions from fossil‐fuel combustion1. HCNO is formed in combustion primarily by the CH 2 + NO2–5 and HCCO + NO6–11 reactions, and can be synthesized by vacuum pyrolysis of 3‐phenyl‐4‐oximinoisoxazol‐5(4H)‐one12–14. Several experimental15–18 and computational studies19–21 on the kinetics of HCNO have been reported.…”

Rotational and Rovibrational Spectra of H13C15NO in the Spectral Regions 18–40 GHz, 110–440 GHz, and 170–1850 cm−1

“…A good agreement bethe spectra of the various isotopomers in conjunction, starttween the measured and calculated fundamental wavenuming from the lowest excited states. A calibration problem, which became obvious H 13 C 14 NO (18), H 12 C 15 NO (19,20), and H 13 C 15 NO (21) beduring the analysis when data from the different infrared spectra were fitted simultaneously, is also discussed. Most revealing for our understandin the microwave (18-40 GHz) and millimeter-wave region ing of the behavior of HCNO was the semirigid-bender (110-440 GHz), as well as in the far-and mid-infrared model (15,16), but it could not reproduce the rotational region (170-1850 cm 01 ).…”