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  • 1
    Electronic Resource
    Electronic Resource
    Fourier transform infrared emission spectroscopy of VCl (2001)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 114 (2001), S. 4457-4460 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The high resolution spectrum of VCl has been observed in emission in the 3000–9400 cm−1 region using a Fourier transform spectrometer. The bands were excited in a high temperature carbon tube furnace from the reaction of vanadium metal vapor and a trace of BCl3 and the spectra were recorded at a resolution of 0.05 cm−1. The new bands observed in the 6000–8000 cm−1 interval have been attributed to VCl. The bands having R heads near 6176, 6589, 7004, 7358, and 7710 cm−1 have been assigned as the 0–2, 0–1, 0–0, 1–0, and 2–0 bands, respectively, of the [7.0]5Δ–X 5Δ electronic transition. A rotational analysis of the 5Δ1–5Δ1, 5Δ2–5Δ2, and 5Δ3–5Δ3 subbands of the 0–1 and 0–0 vibrational bands has been obtained and molecular constants have been extracted. The remaining two of the five subbands could not be analyzed because of severe overlapping from neighboring subbands. The principal molecular constants for the X 5Δ state obtained from the present analysis are: ΔG(1/2)=415.26(113) cm−1, Be=0.165 885(250) cm−1, αe=0.000 586(84) cm−1, and re=2.213 79(170) Å. Our work represents the first observation of this near infrared electronic transition of VCl. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1349426
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  • 2
    Electronic Resource
    Electronic Resource
    The electronic structure of ZrCl (2001)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 114 (2001), S. 3977-3987 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The proposed electronic assignments of our previously reported near infrared transitions of ZrCl [J. Mol. Spectrosc. 186, 335 (1997); 196, 235 (1999)] have been revised following the suggestion of Sakai, Mogi, and Miyoshi [J. Chem. Phys. 111, 3989 (1999)]. The ground state is now assigned as the X 2Δ state followed by the a 4Φ state being the lowest in the quartet manifold. The previously reported transitions [7.3]2Δ–a 2Φ, [9.4]2Φ–a 2Φ, and C 4Δ–X 4Φ are now reassigned to C 2Φ–X 2Δ, E 2Φ–X 2Δ, and d 4Δ–a 4Φ, respectively. The new assignments are supported by our own ab initio calculations. Laser excitation spectra of the 414 nm band system have also been observed at low resolution and are attributed to a 4Γ–a 4Φ transition. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1343904
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  • 3
    Electronic Resource
    Electronic Resource
    Infrared emission spectroscopy of the [10.5]5Δ–X5Δ system of VF (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 116 (2002), S. 7035-7039 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The emission spectrum of VF has been investigated in the 3400–17 000 cm−1 region using a Fourier transform spectrometer. The bands were excited in a high temperature carbon tube furnace from the reaction of vanadium metal vapor with CF4, as well as in a microwave discharge through a flowing mixture of VF4 vapor and helium. Several bands observed in the 9000–12 000 cm−1 region have been attributed to VF. The bands with high wave number R heads near 9156.8, 9816.4, 10 481.4, 11 035.8, and 11 587.2 cm−1 have been assigned as the 0-2, 0-1, 0-0, 1-0, and 2-0 bands, respectively, of the new [10.5]5Δ–X5Δ system of VF. A rotational analysis of the 5Δ1–5Δ1, 5Δ2–5Δ2, 5Δ3–5Δ3, and 5Δ4–5Δ4 subbands of the 0-1, 0-0, 1-0, and 2-0 bands has been carried out and spectroscopic parameters for VF have been obtained for the first time. The following equilibrium constants have been determined for the ground state of VF by averaging the constants of the different spin components: ΔG(1/2)=665.10 cm−1, Be=0.3863 cm−1, αe=0.0028 cm−1, and re=1.7758 Å. © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1464831
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  • 4
    Electronic Resource
    Electronic Resource
    Fourier transform emission spectroscopy and ab initio calculations on OsN (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 111 (1999), S. 3449-3456 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The emission spectrum of OsN has been recorded in the 3000–13 000 cm−1 region using a Fourier transform spectrometer. OsN molecules were excited in an osmium hollow cathode lamp operated with neon gas and a trace of nitrogen. Six bands observed in the 8000–12 200 cm−1 region have been classified into three transitions, a 4Π5/2–X 2Δ5/2, b 4Φ7/2–X 2Δ5/2, and b 4Φ5/2–X 2Δ5/2 with the 0–0 band origins near 8381.7, 11 147.9, and 12 127.2 cm−1, respectively. A rotational analysis of these bands provides the following equilibrium constants for the ground electronic state: ωe=1147.9492(77) cm−1, ωexe=5.4603(36) cm−1, Be=0.493 381(55) cm−1, αe=0.002 753(38) cm−1, and re=1.618 023(91) Å. Ab initio calculations have been performed on OsN and the spectroscopic properties of the low-lying electronic states have been calculated. Our assignments are supported by these calculations. The ground state of OsN has been identified as a 2Δi state consistent with the observations for the isoelectronic IrC molecule [Jansson et al., Chem. Phys. Lett. 4, 188 (1969); J. Mol. Spectrosc. 36, 248 (1970)]. The 1σ22σ21π41δ33σ2 electron configuration has been proposed for the ground state and the configurations for the other low-lying electronic states have also been discussed. This work represents the first experimental or theoretical investigation of the electronic spectra of OsN. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.479630
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  • 5
    Electronic Resource
    Electronic Resource
    High-resolution Fourier transform emission spectroscopy of YH (1994)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 101 (1994), S. 9283-9288 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The electronic emission spectrum of YH has been investigated in the 690 nm to 3 μm spectral region using a Fourier transform spectrometer. The YH bands were excited in an yttrium hollow cathode lamp operated with neon gas and a trace of hydrogen. The observed bands have been classified into three different electronic transitions: C 1Σ+–X 1Σ+, d0+(3Σ−)–X 1Σ+, and e 3Φ–a 3Δ. The rotational analysis of the 0–0, 1–1, 2–2, 3–3, 0–1, 1–2, and 2–3 bands of the C 1Σ+–X 1Σ+ system provided the following set of equilibrium molecular constants for the ground state: ωe=1530.456(15) cm−1, ωexe=19.4369(72) cm−1, ωeye=0.0361(9) cm−1, Be =4.575 667(38) cm−1, αe=0.091 449(23) cm−1, and re=1.922 765(8) A(ring). Two weaker bands with origins at 14 264.7256(49) and 12 811.5753(49) cm−1 have been assigned as the 0–1 and 0–2 bands of a new d0+(3Σ−)–X 1Σ+ electronic transition with T0=15 756.4251(49) cm−1. Three bands observed in the red region with origins at 11 377.9784(39), 11 499.3408(26), and 11 583.8294(23) cm−1 have been assigned as the 3Φ2–3Δ1, 3Φ3–3Δ2, and 3Φ4–3Δ3 subbands of a new e 3Φ–a 3Δ electronic transition. © 1994 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.467958
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  • 6
    Electronic Resource
    Electronic Resource
    Fourier transform emission spectroscopy of HfH and HfD (1994)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 101 (1994), S. 74-79 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The electronic emission spectra of HfH and HfD were investigated in the 476 nm to 1 μm spectral region using a Fourier transform spectrometer. The bands were excited in a hafnium hollow cathode lamp in the presence of a mixture of neon and H2 or D2. For HfH, two ΔΩ=0 electronic transitions with a common Ω‘=3/2 lower state, most probably the X 2Δ3/2 ground state, were identified at 14 495 and 19 147 cm−1. These bands have been assigned as the [14.5]3/2−X 2Δ3/2 and the [19.1]3/2−X 2Δ3/2 transitions. The rotational analysis of the 0–0 and 1–1 bands of the [14.5]3/2−X 2Δ3/2 system and the 0–0 band of the [19.1]3/2−X 2Δ3/2 system provides the following equilibrium constants for the ground state of HfH: Be‘ = 5.019 11(8) cm−1, αe‘= 0.120 26(11) cm−1, and re‘ = 1.830 691(15) A(ring). For HfD, only the 0–0 band of the [19.1]3/2−X 2Δ3/2 transition at 19 134 cm−1 was identified. This work represents the first observation of the HfH and the HfD molecules.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.468130
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  • 7
    Electronic Resource
    Electronic Resource
    Sulfur dioxide fluorescence from vacuum ultraviolet dissociative excitation of sulfur trioxide (1987)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 91 (1987), S. 3262-3265 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100296a032
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  • 8
    Electronic Resource
    Electronic Resource
    Fourier transform infrared emission spectroscopy and ab initio calculations on RuN (1998)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 109 (1998), S. 6329-6337 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The emission spectrum of RuN has been observed in the near infrared using a Fourier transform spectrometer. RuN molecules were excited in a hollow cathode lamp operated with neon gas and a trace of nitrogen. Two bands with 0–0 Q heads near 7354 and 8079 cm−1 and a common lower state have been assigned as 2Π1/2–2Σ+ and 2Π3/2–2Σ+ subbands, respectively, of a C 2Π–X 2Σ+ transition. A rotational analysis of these bands has been performed and molecular constants have been extracted. The principal molecular constants for the ground X 2Σ+ state of the most abundant 102RuN isotopomer are: B0=0.552 782 9(70) cm−1, D0=5.515(13)×10−7 cm−1, γ0 =−0.044 432(22) cm−1 and r0=1.573 869(10) Å. The excited C 2Π state has the following molecular constants: T00=7714.342 60(53) cm−1, A0=725.8064(11) cm−1, B0=0.516 843 4(80) cm−1, D0=5.685(16)×10−7 cm−1, p0=5.467(36)×10−3 cm−1 and r0=1.627 670(13) Å. Ab initio calculations have been carried out on RuN to ascertain the nature of the experimentally observed states and to predict the spectroscopic properties of the low-lying electronic states. Our electronic assignment is supported by these calculations and is also consistent with the observations for the isoelectronic RhC molecule [Kaving and Scullman, J. Mol. Spectrosc. 32, 475–500 (1969)]. The valence electron configuration 1σ22σ21π41δ43σ1 is proposed for the X 2Σ+ ground state of RuN and the configurations for the excited states have been discussed. There is no previous experimental or theoretical work on RuN. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.477275
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  • 9
    Electronic Resource
    Electronic Resource
    Infrared emission spectroscopy of NH: Comparison of a cryogenic echelle spectrograph with a Fourier transform spectrometer (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 110 (1999), S. 5557-5563 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The high-resolution emission spectrum of NH has been observed in the near infrared using a Fourier transform spectrometer (FTS) and a cryogenic echelle spectrograph (called Phoenix) at the National Solar Observatory at Kitt Peak. By using a large format InSb array detector, the newly constructed Phoenix is calculated to offer a large increase in sensitivity over a Fourier transform spectrometer for measurements near 5 μm (2000 cm−1). In order to test the performance of Phoenix, we recorded vibration–rotation emission spectra of the free-radical NH. The infrared bands of NH were produced in a microwave discharge of a mixture of NH3 and He. The rotational structure of five bands, 1–0, 2–1, 3–2, 4–3, and 5–4 in the 2200–3500 cm−1 region has also been measured using two FTS spectra. An analysis of these bands combined with the previous electronic, vibration–rotation, and pure rotation measurements provides improved molecular constants for the ground electronic state. In particular, we have extended the range of measured J values so that the new constants are suitable for predicting line positions in high-temperature sources such as stellar atmospheres and flames. A comparison of the Phoenix spectra with the FTS spectra confirms the higher sensitivity of the Phoenix spectrometer. The relative advantages and disadvantages of instruments like Phoenix are discussed. Although designed for astronomical work, cryogenic echelle spectrographs have applications in the ultrasensitive detection of molecules in chemical physics. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.478453
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  • 10
    Electronic Resource
    Electronic Resource
    Fourier transform emission spectroscopy of the B 1Π–X 1Σ+, C 1Σ+–X 1Σ+, and G 1Π–X 1Σ+ systems of ScH and ScD (1996)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 105 (1996), S. 2668-2674 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The emission spectra of ScH and ScD have been observed in the 380 nm–2.5 μm spectral region using a Fourier transform spectrometer. The molecules were excited in a scandium hollow cathode lamp operated with neon gas and a trace of hydrogen or deuterium. Three transitions with a common lower state, assigned as the ground X 1Σ+ state, have been observed in the near infrared and visible regions. The ScH bands with 0–0 band origins at 5404, 13 574, and 20 547 cm−1 have been assigned as the B 1Π–X 1Σ+, C 1Σ+–X 1Σ+, and G 1Π–X 1Σ+ transitions, respectively. A rotational analysis of the 0–0, 1–1, 1–0, and 2–1 bands of the B 1Π–X 1Σ+ system, the 0–0 and 1–1 bands of the C 1Σ+–X 1Σ+ system and the 0–0 band of the G 1Π–X 1Σ+ system has been obtained. The principal molecular constants for the X 1Σ+ state of ScH are ΔG(1/2)=1546.9730(14) cm−1, Be=5.425 432(48) cm−1, αe=0.124 802(84) cm−1 and re=1.775 427(8) A(ring). The corresponding band systems of ScD have also been analyzed. A rotational analysis of the 0–0, 1–1, and 1–0 bands of the B 1Π–X 1Σ+ system, the 0–0, 1–1, 0–1, and 1–2 bands of the C 1Σ+–X 1Σ+ system and the 0–0 band of the G 1Π–X 1Σ+ system has been obtained. The equilibrium molecular constants determined for the ground state of ScD are ωe=1141.2650(31) cm−1, ωexe=12.3799(15) cm−1, Be=2.787 432(41) cm−1, αe=0.045 321(73) cm−1, and re=1.771 219(13) A(ring). The ScH assignments are supported by recent theoretical predictions made by Anglada et al. [Mol. Phys. 66, 541 (1989)] as well as the experimental results available for ScF and the isovalent YH and LaH molecules. Although some unassigned bands have been attributed to ScH and ScD by previous workers, there have been no previous analyses of ScH or ScD spectra. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.472130
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