Near-Infrared Emission Spectrum of NO

Horn, Eugene Franklin; Dickey, Fred P.

doi:10.1063/1.1726132

Cited by 9 publications

(4 citation statements)

References 28 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Nitric oxide plays an important role in the physiology of living organism; therefore, it was investigated intensively. A number of quantum mechanical calculation showed that the high precision CCSD(T) method gives interatomic distance d N–O CCSD(T) = 1.169 Å in good agreement with the experimental value d N–O exp = 1.151 Å. , Our DFT calculations give d N–O DFT = 1.191 Å which is also in reasonably good agreement with the experiment. The NO dissociation energy experimental value is Δ E diss exp (NO) = 6.515 eV .…”

Section: Methodssupporting

confidence: 81%

Catalytic Synthesis of Nitric Monoxide at the AlN(0001) Surface: Ab Initio Analysis

et al. 2019

View full text Add to dashboard Cite

Molecular nitrogen and molecular oxygen adsorption at the Alterminated AlN(0001) surface was investigated using ab initio simulations. It was shown that both species undergo barrierless dissociation during attachment to the surface. The H3 adsorption site was identified as the most favorable for both O and N adatoms. The adsorption energies for O 2 and N 2 were found to be 14.8 and 6.0 eV, respectively. At the clean surface, separate N and O adatoms have their energies 4.37 eV lower than the NO admolecule. At normal nitrogen pressures, the AlN(0001) surface is fully covered by nitrogen adatoms. It was shown for this coverage that adsorption of oxygen leads to creation of the NO admolecule which is a necessary step for nitric monoxide synthesis. The energetics of NO molecules is related to electronic charge transfer: from the two possible configurations, it is shown that T4 and H3 are donors and acceptors, respectively. The resulting coverage is the mixture of both configurations, controlled by electron charge balance. Thus, the ab initio modeling provides indication that AlN(0001) is the powerful catalyst for high pressure−high temperature synthesis of nitric monoxide (NO), indicating that AlN may be a candidate for applications in industrial mass synthesis of nitrogen-based materials such as fertilizers or explosives.

show abstract

Section: Methodssupporting

confidence: 81%

Catalytic Synthesis of Nitric Monoxide at the AlN(0001) Surface: Ab Initio Analysis

et al. 2019

View full text Add to dashboard Cite

show abstract

“…(1) N + 0 2 -NO + 0 All of thesv, reactions are exothermic. Reactions (2), (3), (4), (5) and (6) are known to be at least visibly chemiluminescent, and all except (8) and (11) are expected to be chemiluminescent in the infrared.…”

mentioning

confidence: 99%

“…In conjunction with the studies on infrared chemiluminescence, a study was made of the emission spectrum of several gases which had been activated by a radio-frequency discharge. The spectra of methane, ethane and ketene were obtained [4], The infrared emission of nitric oxide was studied as a function of cell pressure, Horn and Dickey [ 5] reported on such a study at pressures of 200 torr, Wilkinson, Price, and Mould [6]have also studied such emissions at relatively high pressures.…”

mentioning

confidence: 99%

“…published a critique of the results of Kistiakowsky and Volpi [10] , and they were able to explain the product ratios from the rate constants of their study [ 9]. However, they discounted a reaction scheme, shown in steps (4) and (5), that Kistiakowsky and Volpi proposed to convert NO into NO. After I960, published studies on the active nitrogen-nitrogen dioxide reaction seemed to ignore the rate constants for reactions (1) to…”

mentioning

confidence: 99%

See 1 more Smart Citation