Rotational analysis of the inversion–vibration spectrum of 15NH2D

A set of interacting states ν56/2ν2

Research output: Contribution to journalArticle

Abstract

High–resolution (0.004 cm−1) Fourier transform spectra of the 15NH2D molecule were recorded for the first time in the region of 1000–1800 cm−1 at LISA in Créteil and analyzed. Assignments of transitions were made on the basis of the Ground State Combination Differences method. Parameters of the effective Hamiltonian of the ground vibrational state in the model of the asymmetric top molecule in A−reduction and Ir−representation were determined from the fit of MW and FIR data known in the literature. As a result of the analysis, about 4380 ro-vibrational transitions have been assigned to the five vibrational states (v5=1,s),(v5=1,a),(v6=1,s),(v6=1,a), and (v2=2,s), and the values of 647 upper ro-vibrational energy levels were determined. A weighted fit was carried out using the model of the effective Hamiltonian which takes into account strong resonance interaction between all five upper vibrational states corresponding to the observed (v5=1,s),(v5=1,a), (v6=1,s), (v6=1,a), and (v2=2,s), and interaction of these five states with an unobserved sixth state (v2=2,a). A set of 168 parameters obtained from the fit provided the basis to reproduce the initial 647 energy values (line positions of about 4380 transitions) of the five mentioned inversion–vibrational states with the drms=7.9×10−4 cm−1.

Original languageEnglish
Pages (from-to)210-219
Number of pages10
JournalJournal of Quantitative Spectroscopy and Radiative Transfer
Volume202
DOIs
Publication statusPublished - 1 Nov 2017

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Hamiltonians
vibrational states
Molecules
Electron transitions
Electron energy levels
Ground state
Fourier transforms
LISA (observatory)
molecules
energy levels
interactions
ground state
energy

Keywords

  • NHD molecule
  • Inversion states in ammonia
  • Resonance interactions

ASJC Scopus subject areas

  • Radiation
  • Atomic and Molecular Physics, and Optics
  • Spectroscopy

Cite this

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title = "Rotational analysis of the inversion–vibration spectrum of 15NH2D: A set of interacting states ν5/ν6/2ν2",
abstract = "High–resolution (0.004 cm−1) Fourier transform spectra of the 15NH2D molecule were recorded for the first time in the region of 1000–1800 cm−1 at LISA in Cr{\'e}teil and analyzed. Assignments of transitions were made on the basis of the Ground State Combination Differences method. Parameters of the effective Hamiltonian of the ground vibrational state in the model of the asymmetric top molecule in A−reduction and Ir−representation were determined from the fit of MW and FIR data known in the literature. As a result of the analysis, about 4380 ro-vibrational transitions have been assigned to the five vibrational states (v5=1,s),(v5=1,a),(v6=1,s),(v6=1,a), and (v2=2,s), and the values of 647 upper ro-vibrational energy levels were determined. A weighted fit was carried out using the model of the effective Hamiltonian which takes into account strong resonance interaction between all five upper vibrational states corresponding to the observed (v5=1,s),(v5=1,a), (v6=1,s), (v6=1,a), and (v2=2,s), and interaction of these five states with an unobserved sixth state (v2=2,a). A set of 168 parameters obtained from the fit provided the basis to reproduce the initial 647 energy values (line positions of about 4380 transitions) of the five mentioned inversion–vibrational states with the drms=7.9×10−4 cm−1.",
keywords = "NHD molecule, Inversion states in ammonia, Resonance interactions",
author = "Ulenikov, {O. N.} and Bekhtereva, {E. S.} and Gromova, {O. V.} and Fomchenko, {A. L.} and {Kwabia Tchana}, F.",
year = "2017",
month = "11",
day = "1",
doi = "10.1016/j.jqsrt.2017.08.005",
language = "English",
volume = "202",
pages = "210--219",
journal = "Journal of Quantitative Spectroscopy and Radiative Transfer",
issn = "0022-4073",
publisher = "Elsevier Limited",

}

TY - JOUR

T1 - Rotational analysis of the inversion–vibration spectrum of 15NH2D

T2 - A set of interacting states ν5/ν6/2ν2

AU - Ulenikov, O. N.

AU - Bekhtereva, E. S.

AU - Gromova, O. V.

AU - Fomchenko, A. L.

AU - Kwabia Tchana, F.

PY - 2017/11/1

Y1 - 2017/11/1

N2 - High–resolution (0.004 cm−1) Fourier transform spectra of the 15NH2D molecule were recorded for the first time in the region of 1000–1800 cm−1 at LISA in Créteil and analyzed. Assignments of transitions were made on the basis of the Ground State Combination Differences method. Parameters of the effective Hamiltonian of the ground vibrational state in the model of the asymmetric top molecule in A−reduction and Ir−representation were determined from the fit of MW and FIR data known in the literature. As a result of the analysis, about 4380 ro-vibrational transitions have been assigned to the five vibrational states (v5=1,s),(v5=1,a),(v6=1,s),(v6=1,a), and (v2=2,s), and the values of 647 upper ro-vibrational energy levels were determined. A weighted fit was carried out using the model of the effective Hamiltonian which takes into account strong resonance interaction between all five upper vibrational states corresponding to the observed (v5=1,s),(v5=1,a), (v6=1,s), (v6=1,a), and (v2=2,s), and interaction of these five states with an unobserved sixth state (v2=2,a). A set of 168 parameters obtained from the fit provided the basis to reproduce the initial 647 energy values (line positions of about 4380 transitions) of the five mentioned inversion–vibrational states with the drms=7.9×10−4 cm−1.

AB - High–resolution (0.004 cm−1) Fourier transform spectra of the 15NH2D molecule were recorded for the first time in the region of 1000–1800 cm−1 at LISA in Créteil and analyzed. Assignments of transitions were made on the basis of the Ground State Combination Differences method. Parameters of the effective Hamiltonian of the ground vibrational state in the model of the asymmetric top molecule in A−reduction and Ir−representation were determined from the fit of MW and FIR data known in the literature. As a result of the analysis, about 4380 ro-vibrational transitions have been assigned to the five vibrational states (v5=1,s),(v5=1,a),(v6=1,s),(v6=1,a), and (v2=2,s), and the values of 647 upper ro-vibrational energy levels were determined. A weighted fit was carried out using the model of the effective Hamiltonian which takes into account strong resonance interaction between all five upper vibrational states corresponding to the observed (v5=1,s),(v5=1,a), (v6=1,s), (v6=1,a), and (v2=2,s), and interaction of these five states with an unobserved sixth state (v2=2,a). A set of 168 parameters obtained from the fit provided the basis to reproduce the initial 647 energy values (line positions of about 4380 transitions) of the five mentioned inversion–vibrational states with the drms=7.9×10−4 cm−1.

KW - NHD molecule

KW - Inversion states in ammonia

KW - Resonance interactions

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U2 - 10.1016/j.jqsrt.2017.08.005

DO - 10.1016/j.jqsrt.2017.08.005

M3 - Article

VL - 202

SP - 210

EP - 219

JO - Journal of Quantitative Spectroscopy and Radiative Transfer

JF - Journal of Quantitative Spectroscopy and Radiative Transfer

SN - 0022-4073

ER -