Infrared Photoacoustic Spectra of Gaseous Pentacarbonyl(Methyl)Manganese(I) and Pentacarbonyl(Methyl)Rhenium(I)

1992 ◽  
Vol 46 (11) ◽  
pp. 1605-1607 ◽  
Author(s):  
Ian S. Butler ◽  
Denis F. R. Gilson ◽  
Dominique Lafleur
Keyword(s):  
Gas Phase ◽  
Carbonyl Complexes ◽  
Volatile Solid ◽  
Local Surface ◽  
Vibrational Assignments ◽  
Photoacoustic Spectra ◽  
Near Ir ◽  
Heating Effects ◽  
Nondestructive Identification ◽  
Phase Spectra

Gas-phase IR photoacoustic (PA) spectra have been obtained for the volatile, solid pentacarbonyl(methyl)metal(I) complexes, CH3Mn(CO)5 and CH3Re(CO)5. The gaseous samples were apparently produced directly in the PA sample cup as the result of local surface heating effects. Vibrational assignments are given for the gas-phase spectra, especially for the binary v(CO) overtone and combinations which absorb in the near-IR region at ∼4000 cm−1. The data provide further support for near-IR/PA spectroscopy being a useful technique for the rapid, nondestructive identification of small amounts of organometallic carbonyl complexes.

FT-IR Photoacoustic Spectra of Gaseous Group VIB Metal Chalcocarbonyl Complexes

1986 ◽  
Vol 40 (7) ◽  
pp. 1004-1009 ◽  
Author(s):  
Zhen H. Xu ◽  
Ian S. Butler ◽  
Francois G. T. St.-Germain
Keyword(s):  
Gas Phase ◽  
Room Temperature ◽  
Vibrational Assignments ◽  
Photoacoustic Spectra ◽  
Excellent Quality ◽  
Ft Ir ◽  
Phase Spectra ◽  
Solid Complexes

Attempts to record the room-temperature, FT-IR photoacoustic (PA) spectra of the crystalline group VIB metal chalcocarbonyls, M(CO)6 (M = Cr, Mo, W) and Cr(CO)5(CS), suprisingly failed owing to the high volatilities of the solid complexes in the PA cell, and excellent-quality gas-phase spectra were obtained instead. Vibrational assignments are proposed for these gases for the CO stretching and MCO bending fundamentals, and the associated binary overtone and combination spectra in the 4500–500 cm−1 region. The binary overtone and combination spectra are easily observed in the FT-IR/PA spectra and are useful in distinguishing between the four metal chalcocarbonyl complexes.

scholarly journals The quantitative infrared and NIR spectrum of CH<sub>2</sub>I<sub>2</sub> vapor: vibrational assignments and potential for atmospheric monitoring

2006 ◽  
Vol 6 (1) ◽  
pp. 1275-1299
Author(s):  
T. J. Johnson ◽  
T. Masiello ◽  
S. W. Sharpe
Keyword(s):  
Gas Phase ◽  
Near Infrared ◽  
Point Group ◽  
Aerosol Formation ◽  
Atmospheric Monitoring ◽  
Vibrational Assignments ◽  
Quantitative Absorption ◽  
First Time ◽  
Phase Spectra ◽  
Ft Raman

Abstract. Diiodomethane (CH2I2) photolysis in the presence of ozone is a suggested precursor to new particle aerosol formation, particularly in coastal areas. As part of the PNNL database of gas-phase infrared spectra, the quantitative absorption spectrum of CH2I2 has been acquired at 0.1 cm−1 resolution. Two strong b2 symmetry A-type bands at 584 and 1114 cm−1 are observed, but are not resolved at 760 Torr and appear as B-type. In contrast, the b1 symmetry C-type bands near 5953, 4426 and 3073 cm−1 are resolved with rotational structure, including Q-branches with widths ≤1 cm−1. The quantitative infrared and near-infrared vapor-phase spectra (600–10 000 cm−1) are reported for the first time and discussed in terms of atmospheric monitoring. FT-Raman spectra and ab initio calculations are used to complete vibrational assignments in the C2v point group.

Solid-State Infrared Photoacoustic Spectra of Group 6B Metal Mixed Carbonyl-t-Butylisocyanide Complexes, M(CO)6-n(CNtBu)n(M = Cr, Mo, W; n = 1–3)

1993 ◽  
Vol 47 (2) ◽  
pp. 218-221 ◽  
Author(s):  
Hongqi Li ◽  
Ian S. Butler
Keyword(s):  
Solid State ◽  
Room Temperature ◽  
Organometallic Complexes ◽  
Vibrational Assignments ◽  
Photoacoustic Spectra ◽  
Near Ir

Solid-state mid- and near-IR photoacoustic (PA) spectra have been measured at room temperature for the group 6B metal(0) mixed carbonyl- t-butylisocyanide complexes M(CO)6- n(CN tBu) n ( M = Cr, Mo, W; n = 1-3). Vibrational assignments are proposed for many of the observed bands. The PA spectra in the near-IR region (4600-3600 cm−1), where the binary v(CN) and v(CO) overtones and combinations absorb, are useful spectral fingerprints for these organometallic complexes.

FT-IR Photoacoustic Spectra of Some Solid Organometallic Complexes of Chromium, Manganese, Rhenium, and Iron

1987 ◽  
Vol 41 (1) ◽  
pp. 149-153 ◽  
Author(s):  
Ian S. Butler ◽  
Zhen H. Xu ◽  
Rita S. Werbowyj ◽  
Francois St.-Germain
Keyword(s):  
Solid State ◽  
Alkali Halide ◽  
Room Temperature ◽  
Organometallic Compounds ◽  
Rapid Identification ◽  
Organometallic Complexes ◽  
Vibrational Assignments ◽  
Photoacoustic Spectra ◽  
Near Ir ◽  
Ft Ir

FT-IR photoacoustic spectra have been measured at room temperature in the near- and mid-IR range (4700–500 cm−1) for the solid organometallic compounds: CpM(CO)3 (Cp = η5-C5H5; M = Mn, Re); CpMn(CO)2(CS); [CpFe(CO)2]2; [CpMo(CO)3]2; BzCr(CO)3 (Bz = η6-C6H6); BzCr(CO)2(CS); M2(CO)10 (M = Mn, Re); and Fe2(CO)9. Vibrational assignments have been made for the fundamentals and the binary overtone and combination regions. It is much simpler to obtain data for the 4700–3500 cm−1 near-IR region with the use of PA rather than transmission IR spectroscopy with alkali halide disks since there are no problems with scattering or internal multiple reflectance. FT-IR photoacoustic spectroscopy is a convenient, nondestructive analytical method that should prove extremely useful to organometallic chemists for the rapid identification of their compounds in the solid state.

scholarly journals The quantitative infrared and NIR spectrum of CH<sub>2</sub>I<sub>2</sub> vapor: vibrational assignments and potential for atmospheric monitoring

2006 ◽  
Vol 6 (9) ◽  
pp. 2581-2591 ◽  
Author(s):  
T. J. Johnson ◽  
T. Masiello ◽  
S. W. Sharpe
Keyword(s):  
Absorption Spectrum ◽  
Gas Phase ◽  
Near Infrared ◽  
Point Group ◽  
Atmospheric Monitoring ◽  
Vibrational Assignments ◽  
Quantitative Absorption ◽  
First Time ◽  
Phase Spectra ◽  
Ft Raman

Abstract. Diiodomethane (CH2I2) has recently become a molecule of significant atmospheric interest as it can contribute to coastal IO formation. As part of the PNNL database of gas-phase infrared spectra, the quantitative absorption spectrum of CH2I2 has been acquired at 0.1 cm-1 resolution. Two strong b2 symmetry A-type bands at 584 and 1114 cm-1 are observed, but are not resolved when broadened to 760 Torr with nitrogen and appear as B-type. In contrast, the b1 symmetry C-type bands near 5953, 4426 and 3073 cm-1 are resolved with rotational structure, including Q-branches with widths ≤1 cm-1. The quantitative infrared and near-infrared vapor-phase spectra (600–10 000 cm-1) are reported for the first time. Some bands are discussed in terms of their potential for atmospheric monitoring and theoretical detection limits on a selected basis. FT-Raman spectra and ab initio calculations are used to complete vibrational assignments in the C2v point group.

Infrared Photoacoustic Spectra of the Solid Manganese(I) Carbonyl Halides, Mn(CO)5X and [Mn(CO)4X]2 (X = Cl, Br, I)

1992 ◽  
Vol 46 (12) ◽  
pp. 1785-1789 ◽  
Author(s):  
Hongqi Li ◽  
Ian S. Butler
Keyword(s):  
Room Temperature ◽  
Vibrational Assignments ◽  
Photoacoustic Spectra ◽  
Near Ir

Mid- and near-IR photoacoustic (PA) spectra have been measured at room temperature for two series of crystalline manganese(I) carbonyl halides: Mn(CO)5 X and [Mn(CO)4 X]2 ( X = Cl, Br, I). Vibrational assignments are proposed for many of the observed bands. The PA spectra in the near-IR region (4200-3800 cm−1), where the binvary v(CO) overtones and combinations absorb, are useful spectral fingerprints for these organomanganese(I) complexes.

Interaction of the C = N Bond with the Cyclopropyl Ring

1981 ◽  
Vol 36 (7) ◽  
pp. 768-773 ◽  
Author(s):  
Shatha F. Al-Siaidi ◽  
Ibrahim T. Ibrahim ◽  
Keyword(s):  
Excited State ◽  
Nitrogen Atom ◽  
Gas Phase ◽  
Bathochromic Shift ◽  
Wave Number ◽  
Phase Spectra

Abstract The conjugative interaction of the C=N bond with the cyclopropylring is studied using UV-spectrophotometric technique. The observed small bathochromic shift in the n-n* bands, relative to the spectra of similar compounds but with no cyclopropylring, is attributed to the interaction of the internal Walsh MO with the nonbonded MO of the Nitrogen atom (Zlint-n interaction) in the bisected conformation of the molecule. The observed bathochromic shifts of the 71-71* bands are explained in terms of the A-n interaction. The gas phase spectra of the azomethine derivatives show vibronic structuring of the band which when analyzed yeld wave number differences be­ tween the successive vibronic peaks, of the magnitude 720—860 cm-1. They are attributed to to the wave number differences between the successive C—N=C deformed ion levels in the excited state. I n te r a c tio n o f th e C = N B o n d w ith th e C y c lo p r o p y l R in g

An experimental NEXAFS and computational TDDFT and ΔDFT study of the gas-phase core excitation spectra of nitroxide free radical TEMPO and its analogues

2016 ◽  
Vol 18 (15) ◽  
pp. 10207-10217 ◽  
Author(s):  
Ivan Ljubić ◽  
Antti Kivimäki ◽  
Marcello Coreno
Keyword(s):  
Free Radical ◽  
Gas Phase ◽  
Excitation Spectra ◽  
Core Excitation ◽  
The Core ◽  
Nitroxide Free Radical ◽  
Phase Spectra ◽  
Stable Nitroxide

Core excitation (NEXAFS) C 1s, N 1s, and O 1s gas-phase spectra of stable nitroxide free radical TEMPO and two of its amide-substituted analogues are assigned from the onset of the absorptions to the vicinity of the core-ionization thresholds using the theoretical TDDFT and ΔDFT methods.

Gas-phase chemistry of technetium carbonyl complexes

2015 ◽  
Vol 17 (20) ◽  
pp. 13228-13234 ◽  
Author(s):  
Yang Wang ◽  
Zhi Qin ◽  
Fang-Li Fan ◽  
Hiromitsu Haba ◽  
Yukiko Komori ◽  
...  
Keyword(s):  
Gas Phase ◽  
Carbonyl Complexes ◽  
Gas Phase Chemistry ◽  
Phase Chemistry

Relative chemical yields and adsorption enthalpies on quartz and Teflon surfaces for short-lived Tc carbonyl complexes were obtained.

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