Rotational analysis of the ν2 band of NH2D

Job, V.A.; Kartha, S. B.; Kartha, V. B.; Thakur, Basant Kumar

doi:10.1016/0022-2852(86)90082-2

Cited by 15 publications

(14 citation statements)

References 13 publications

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“…Accurate ground state parameters for NH 2 D and ND 2 H have been reported by Job et al [13][14][15] from microwave data [10] and FTIR and diode laser spectra of m 2 and by Fusina et al [11], obtained by combining the data of [7][8][9][10] with their FIR data. The first quantitative description of ground state energy levels for NH 2 D and ND 2 H was obtained by De Lucia and Helminger [9].…”

Section: Introductionmentioning

confidence: 64%

“…We used Watson's phase choice [32,33], as in [11,13,14] but different from [10,12]. For a detailed discussion of the phase choice and its consequences on the molecular parameters see [13].…”

Section: Choice Of Coordinate System and Hamiltonianmentioning

confidence: 99%

“…The hindered inversion at the pyramidal nitrogen atom is among the classic problems in intramolecular dynamics and in particular tunneling dynamics including the possibility of molecular chirality with appropriate substitution [3][4][5][6]. Ammonia and its isotopomers have been prototype molecules for the study of inversion at the pyramidally substituted nitrogen atom for many years [3,[7][8][9][10][11][12][13][14][15][16][17][18][19][20][21][22].…”

Section: Introductionmentioning

confidence: 99%

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The NH and ND stretching fundamentals of 14NH2D

Snels

Hollenstein

Qüack

2006

Journal of Molecular Spectroscopy

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Section: Introductionmentioning

confidence: 64%

Section: Choice Of Coordinate System and Hamiltonianmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

The NH and ND stretching fundamentals of 14NH2D

Snels

Hollenstein

Qüack

2006

Journal of Molecular Spectroscopy

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“…The positions of the observed absorptions and of the appropriate gas-phase transitions, taken from the more complete assignment by Job et al [11,12] and adjusted for an inversion splitting of 12 cm À1 , the value found in the earlier study [4] to be appropriate to NH 2 D isolated in an argon matrix, are summarized in Table 7. In this adjustment, the absorptions were predicted to lie 6 cm À1 above and 6 cm À1 below the mean of the s and a contributions to each gas-phase transition arising from a J ¼ 0 or a J ¼ 1 level.…”

Section: Infrared Spectra Of Nh 2 D and Nhdmentioning

confidence: 99%

“…Since 1980, higher resolution spectra and more detailed assignments have been reported for all of the fundamentals of NH 3 [5][6][7] and ND 3 [8,9], for m 2 of NH 2 D and NHD 2 [10][11][12][13], and for the stretching fundamentals of NHD 2 [14]. The m 2 transition of NH 3 has been studied for that molecule attached to the surface of argon clusters [15] and embedded in helium clusters [16].…”

Section: Introductionmentioning

confidence: 99%

The infrared spectrum of NH3-dn trapped in solid neon

Jacox¹,

Thompson²

2004

Journal of Molecular Spectroscopy

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Experimental Investigation of the Thermal Decomposition Pathways and Kinetics of TATB by Isotopic Substitution

Köroğlu

Crowhurst

Kahl

et al. 2021

Propellants Explo Pyrotec

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Real-time measurements of the product gases arising from the thermal decomposition of triamino-trinitro benzene (TATB), its deuterated analogue, and plastically bonded TATB (LX-17) are presented in this study. Gas-phase decomposition products are identified by IR absorption spectroscopy. The frequency shifts in rovibrational spectra due to isotopic substitution and the change in rate of formation of decomposition products due to the kinetic-isotope-effect (KIE) help elucidate the decomposition pathways. The formation of H 2 O precedes other molecules (e. g., HCN, HNCO) during decomposition. After the concentrations of HCN and HNCO molecules reach a peak, their amounts gradually decrease. The concentrations of the other decomposition products (e. g., NH 3 and CO 2 ) rapidly rise after an induction period, which is attributed to the presence of autocatalytic reactions. The trends of chemical evo-lution are similar for all the samples, but their kinetic behaviors are different. This indicates the rates of consistent pathways are changed during thermal decomposition. The kinetics of deuterated TATB decomposition is slower than that of unsubstituted TATB due to the KIE (k H /k D~1 .41). The rate of LX-17 decomposition is slightly lower than unsubstituted TATB (k TATB /k LX-17~1 .15). The KIE is more pronounced during the early stage of decomposition, which is attributed to the first steps of TATB decomposition involving water formation (i. e., H vs D transfer). The KIE slows down the formation of all gases, including those lacking hydrogen (e. g., CO 2 ). These results suggest the TATB thermal decomposition mechanism might involve a series of pathways rather than a set of independent and parallel reactions.

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Rotational analysis of the ν2 band of NH2D

Cited by 15 publications

References 13 publications

The NH and ND stretching fundamentals of 14NH2D

The NH and ND stretching fundamentals of 14NH2D

The infrared spectrum of NH3-dn trapped in solid neon

Experimental Investigation of the Thermal Decomposition Pathways and Kinetics of TATB by Isotopic Substitution

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