A reassessment of the ground-state infrared spectrum of BiH and BiD

Urban, Rolf-Dieter; Polomsky, Petra; Jones, Harold

doi:10.1016/0009-2614(91)90385-m

Cited by 12 publications

(5 citation statements)

References 8 publications

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“…The BiH absorptions at 1635.9, 1622.7, and 1621.9 cm -1 in solid neon, hydrogen, and argon, respectively, exhibit 1.395, 1.395, and 1.396 BiH/BiD ratios, which are almost identical to the 1.394 ratio found for the gas-phase 1635.7 cm -1 vibrational fundamental. − Again, note that the neon matrix value is slightly higher and the hydrogen and argon matrix values are slightly lower than the gas-phase observation. Although the BiH and BiD bands are invariant with the H 2 + D 2 , and HD reagents in neon and argon matrixes, and BiD is invariant in D 2 and H 2 + D 2 samples, the BiH bands are perturbed by the solid normal hydrogen (ortho and para) matrix environment.…”

Section: Discussionmentioning

confidence: 56%

“…Since BiH is isovalent with NH, a 3 Σ - ground state is expected, but Hund's case (c) coupling splits the 3 Σ 1 - and 3 Σ 0 - spin components and gives A1 and XO + states. − , Since the XO + state 14 is mostly (76%) 3 Σ - , it is no surprise that our B3LYP calculations find 3 Σ - below 1 Σ - . Our computed 1853.8 cm -1 harmonic frequency is substantially higher than the 1699 cm -1 gas-phase value and the 1635.7 cm -1 gas-phase fundamental, − but this systematic error holds throughout our bismuth hydride calculations. Higher level calculations predict a more appropriate 1619 cm -1 frequency for BiH …”

Section: Resultsmentioning

confidence: 66%

“…The monohydride BiH has been investigated in the gas phase by diode laser spectroscopy, and accurate bond length and vibrational frequency measurements have been made. − A number of electronic structure calculations have been performed on BiH with spin−orbit splitting and relativistic effects a major part of the motivation. ,,− There are no experimental data on the BiH 2 radical, but its ionization energy has been calculated . Finally, sixth-row p-block metal hydride dimers have been explored by theory, and a trans structure has been proposed for Bi 2 H 2 …”

Section: Introductionmentioning

confidence: 99%

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Infrared Spectra of Antimony and Bismuth Hydrides in Solid Matrixes

2003

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Laser-ablated Sb and Bi atoms react with hydrogen during condensation in excess hydrogen, neon, and argon to form the SbH and BiH diatomic molecules. In addition the new Group 15 MH2 dihydride radicals and the MH3 trihydrides are observed for Sb and Bi metals. Although BiH3 is of limited stability in the gas phase, BiH3 is formed by further H atom reactions with BiH2 in solid hydrogen and neon. No evidence is found for the thermochemically unstable BiH5 molecule.

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Section: Discussionmentioning

confidence: 56%

Section: Resultsmentioning

confidence: 66%

Section: Introductionmentioning

confidence: 99%

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Infrared Spectra of Antimony and Bismuth Hydrides in Solid Matrixes

2003

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“…Thus, the net coupling between bond oscillators will be small when compared with the BiH bond anharmonicity (Y 20 ϭϪ31.92 cm Ϫ1 in diatomic BiH͒. 16 This should lead to near local-mode behavior. 3,17,18 It would be a particularly interesting task to investigate stretching vibrational localization in this conceivably extreme case in the series of XH 3 molecules, if BiH 3 were available.…”

Section: Introductionmentioning

confidence: 98%

First stretching overtone of BiH3: An extreme local-mode case for XH3-type molecule?

Jerzembeck

Bürger

Hänninen

et al. 2004

The Journal of Chemical Physics

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The first stretching overtone region of short-lived, formerly inaccessible BiH3 near 3405 cm(-1) has been measured by Fourier-transform infrared spectroscopy with a resolution of 0.0066 cm(-1). Only the 2nu1(A1)/nu1+nu3(E) band system has been observed. Rotational analysis, with transitions reaching J'max=14, has revealed almost perfect local-mode behavior for the upper states denoted as (200A1/E) in the local-mode notation. Ratios of vibration-rotation interaction parameters q(eff)/alpha(eff)(BB) and r(eff)/alpha(eff)(BC), and the appropriate rotational constant differences, are in good agreement with theoretical local-mode limit values. A simple stretching vibrational model reproduces the observed vibrational term values well, and the potential parameters obtained are close to true values.

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“…Bopegedera et al [20] and Urban et al [21] studied the infrared rovibrational spectra of BiH and BiD by means of diode laser spectroscopy, and Hedderich and Bernath [22] measured high-resolution emission spectra of the 1-0, 2-1, and 3-2 vibrational bands in the X 1 0 + ground state with a Fourier-transform spectrometer. The latter work has yielded an accurate set of Dunham coefficients for the X 1 0 + state.…”

Section: Introductionmentioning

confidence: 99%

Electronic states and spectra of BiH

Setzer

Fink

Hill

et al. 2015

Journal of Molecular Spectroscopy

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a b s t r a c tEmission spectra of bismuth monohydride (BiH) radicals excited by energy transfer from O 2 (a 1 D g ) or NF(a 1 D) or by a DC discharge in a mixture of bismuth vapor and hydrogen in a fast-flow system were studied in the wavenumber range from 4000 to 25 000 cm À1 with a Fourier-transform spectrometer.The X 2 1 ? X 1 0 + transition between the spin components of the X 3 R À ground state was remeasured at high spectral resolution and signal/noise. Six bands of the Dv = 0 and +1 sequences near 4950 and 6600 cm À1 have been observed. The low-J lines of these bands are split into up to 10 hfs components due to magnetic hyperfine structure splitting of the X 2 1 levels. In addition to the previously observed electric dipole lines, weak magnetic dipole lines show up in the Dv = 0 but not in the Dv = +1 bands. The intensities of the Dv = +1 bands are about a factor of 10 higher than expected from FranckCondon factors indicating that the electric dipole transition moment l X2-X1 shows a strong dependence on internuclear distance. Near 5450 cm À1 , the 0-0 and 1-1 bands of the transition a2 ? X 2 1 from the hitherto unknown first excited state a 1 D(a2) to the upper component of the ground state have been observed. The lines in these bands show the magnetic hfs splitting of both the a2 and X 2 1 states. In the visible range near 21 300 and 16 300 cm À1 , the 0-0 and 1-1 bands of the b0 + ? X 1 0 + system and the 0-0 band of the b0 + ? X 2 1 transition likewise have been measured at high resolution. The lines of the latter band also show the hfs splitting of the X 2 1 state. Least-squares fits have yielded rotational and vibrational constants of the X 1 0 + , X 2 1, a2, and b0 + states as well as hfs parameters of the X 2 1 and a2 states and the electronic energy of the hitherto unknown a 1 D(a2) level.

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A reassessment of the ground-state infrared spectrum of BiH and BiD

Cited by 12 publications

References 8 publications

Infrared Spectra of Antimony and Bismuth Hydrides in Solid Matrixes

Infrared Spectra of Antimony and Bismuth Hydrides in Solid Matrixes

First stretching overtone of BiH3: An extreme local-mode case for XH3-type molecule?

Electronic states and spectra of BiH

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