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1.
Bürger H MKadmi EB Cosléou J Margulès L Demaison J 《Journal of Molecular Spectroscopy》2001,205(1):54-61
The nu(2) (nu(eff.) 854.841 cm(-1)) and 2nu(3) infrared bands (nu(eff.) 840.083 cm(-1)) of DSiF(3) have been studied with a resolution of 2.5 x 10(-3) cm(-1). Moreover, millimeter-wave transitions in the v(2) = 1 and v(3) = 2 states up to J" = 33 have been measured. The assignments and fit of the poorly resolved, compressed cluster-type 2nu(3) IR transitions have been confirmed by a simultaneous study of the 2nu(3)-nu(3) band. The constant W = 5.116 cm(-1) of the Fermi interaction between the v(2) = 1 and v(3) = 2 levels has been determined from frequency effects which are in agreement with relative intensities of the nu(2) and 2nu(3) bands. The deperturbed (B(0) - B(v)) and (C(0) - C(v)) values of the states involved agree with their ab initio predictions within 7% in the worst case. Copyright 2001 Academic Press. 相似文献
2.
Baskakov OI Ilyushin VV Alekseev EA Bürger H Pawelke G 《Journal of Molecular Spectroscopy》2000,202(2):285-292
High-resolution (Deltavarsigma = 2.3 and 2.9 x 10(-3) cm(-1)) FTIR spectra of natural and (35)Cl monoisotopic CH(3)CF(2)Cl have been recorded at -70 degrees C in the 600-1400 cm(-1) range. The bands nu(7), nu(8), and nu(15) have been rotationally analyzed for both isotopic varieties. With the help of predictions based on nu(8) parameters, the millimeter-wave spectrum of the (35)Cl species in the v(8) = 1 state has been observed and jointly fitted with the IR data. Only a small number of local perturbations have been detected in the spectra. Altogether more than 8000 IR transitions have been fitted with an experimental precision of ca. 3 x 10(-4) cm(-1). Copyright 2000 Academic Press. 相似文献
3.
Gnida M Margulès L Cosléou J Bocquet R Demaison J Mkadmi EB Bürger H Harder H Mäder H 《Journal of Molecular Spectroscopy》2000,200(1):40-54
The present paper deals with the analysis of the microwave, millimeter-wave, and infrared spectra of (28)SiHF(3) in its ground, v(6) = 1 and v(4) = 1 excited states. The former was observed up to 1055 GHz leading to the determination of one octic centrifugal distortion constant, L(J) = -0.0749(55) μHz. Furthermore the interaction term ||h(3,GS) || = 1.1032(70) mHz has been fitted from splittings of six K = 3 lines. The excited states have been regarded as isolated ones. This enabled fits according the Q-, D-, and QD-reduction schemes proposed by E. I. Lobodenko, O. N. Sulakshina, V. I. Perevalov, and Vl. G. Tyuterev, (J. Mol. Spectrosc. 126, 159-170 (1987)) and further developed by J. K. G. Watson, C. Gerke, H. Harder, and K. Sarka, (J. Mol. Spectrosc. 187, 131-141 (1997)) and Harder (J. Mol. Spectrosc. 194, 145 (1999)). A multiple fit analysis was performed confirming the assumption that the excited states are not affected by intervibrational resonances. Finally the millimeter spectrum of (29)SiHF(3) and (30)SiHF(3) in their ground state was also measured up to 460 GHz and accurate rotational and centrifugal distortion parameters were derived. Copyright 2000 Academic Press. 相似文献
4.
Ulenikov ON He SG Onopenko GA Bekhtereva ES Wang XH Hu SM Lin H Zhu QS 《Journal of Molecular Spectroscopy》2000,204(2):216-225
Analysis of the high-resolution Fourier transform spectra of the D(2)O first decade was carried out in the framework of the Hamiltonian model which took into account resonance interactions between the seven states, (300), (201), (102), (003), (220), (121), and (022). Assigned from the experimentally recorded spectrum transitions belonged to the four bands, 2nu(1) + nu(3), 3nu(3), nu(1) + 2nu(2) + nu(3), and 3nu(1), gave the possibility both of obtaining rotational, centrifugal distortion, and resonance interaction parameters of "appeared" states, (201), (003), (121), and (300), and of estimating from the fit band centers, rotational, and resonance interaction parameters of the three "dark" states, (220), (022), and (102). Copyright 2000 Academic Press. 相似文献
5.
Ulenikov ON Bürger H Jerzembeck W Onopenko GA Zhabina EA Petrunina OL 《Journal of Molecular Spectroscopy》2000,202(2):229-248
For the first time, high-resolution Fourier transform spectra of HDSe in the region of the three polyads, nu(1)/2nu(2), nu(1) + nu(2)/3nu(2), and 2nu(1)/nu(1) + 2nu(2)/nu(2) + nu(3), have been recorded and analyzed. Combined with an earlier investigation of the nu(2) band, and including estimates for the unobserved "dark" 4nu(2) band, these levels were subjected to a "Global Fit," which makes use of relations between parameters within the different polyads. Since there are five isotopic species present in natural HD(M)Se (M = 82, 80, 78, 77, 76), altogether 34 vibration-rotation bands have been studied in the present contribution. The parameters determined by the Global Fit reproduce upper vibrational-rotational energies of all these bands with accuracies close to experimental precision. Copyright 2000 Academic Press. 相似文献
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A spectrum of HSiF(3) has been recorded at room temperature with a gas pressure of 20-50 Torr in the near-infrared region. A laser photoacoustic spectrometer consisting of a longitudinal resonant cell coupled to a titanium:sapphire ring laser was employed. The 5nu(1) and 6nu(1) overtone bands of H(28)SiF(3) associated with the Si-H stretching have been observed at high resolution (3 x 10(-2) cm(-1)) in the regions 10 900-10 960 and 12 875-12 925 cm(-1), respectively. About 450 lines of the 5nu(1)-0 band have been assigned (J = 45, K = 3p = 18). Within each J cluster of the P and R branches, the K structure has been deconvoluted. A set of parameters characterizing the upper vibration-rotation structure has been obtained. Perturbations have been evidenced for K = 9 and 15. The characterization of the perturbed 6nu(1)-0 band was limited to J = 38, and effective parameters have been determined with no detailed information on the K structure. Most perturbations are supposedly due to the cubic anharmonic constant φ(144) linking nnu(1) to (n - 1)nu(1) + 2nu(4) (n = 5, 6) and to their accompanying interacting rovibrational states. Copyright 2000 Academic Press. 相似文献
7.
Wang SX Schroderus J Ozier I Moazzen-Ahmadi N McKellar AR Ilyushyn VV Alekseev EA Katrich AA Dyubko SF 《Journal of Molecular Spectroscopy》2001,205(1):146-163
An investigation of the torsion-rotation Hamiltonian of CH(3)CF(3) in the ground vibrational state has been carried out using infrared and mm-wave spectroscopy. With infrared Fourier transform spectroscopy, the weak, torsional overtone (v(6) = 2 <-- 0) has been studied leading to the measurement of 382 frequencies between 405 and 440 cm(-1) at a resolution of 0.005 cm(-1). Torsional splittings on the order of 0.03 cm(-1) were observed. With mm-wave methods, a total of 669 rotational transitions between 50 and 360 GHz have been measured at Doppler-limited resolution in the four lowest torsional states v(6) = 0, 1, 2, 3. The experimental uncertainty attained for an isolated line was better than 10 kHz below 150 GHz, and somewhat larger at higher frequencies. For v(6) = 3, torsional splittings as large as 8.7 MHz were observed. The global data set consisted of the current frequency determinations and the 443 measurements with molecular beam, microwave, and mm-wave methods analyzed by I. Ozier, J. Schroderus, S.-X. Wang, G. A. McRae, M. C. L. Gerry, B. Vogelsanger, and A. Bauder [J. Mol. Spectrosc. 190, 324-340 (1998)]. The observation of mm-wave R-branch transitions for v(6) = 1 led to a change in the J-assignment of the forbidden (Deltak = +/-3) transitions reported earlier for this torsional state. A good fit was obtained by varying 24 parameters in a Hamiltonian that represented both the torsional effects and the sextic splittings. In the earlier work, the large reduced barrier height led to high correlations among several of the torsional distortion constants. With the current measurements, many of these correlations are substantially reduced. Improved effective values were determined for the height V(3) of the hindering barrier and the first-order correction V(6) in the Fourier expansion of the potential function. The dipole function which characterizes the transition moment of the torsional overtone (v(6) = 2 <-- 0) can be written as the product of a single effective dipole constant μ(T)(0,eff) and the appropriate off-diagonal matrix element of (1 - cos 3alpha)/2, where alpha is the torsional angle. From an intensity analysis of the infrared spectrum, it has been determined that |μ(T)(0,eff)| = 85.3(62) mD. A novel approach based on a simple regrouping of angular momentum operators is introduced for decoupling the torsional and rotational degrees of freedom. Copyright 2001 Academic Press. 相似文献
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F. Meguellati, G. Graner, K. Burczyk, and H. Bürger [J. Mol. Spectrosc. 185, 392-402 (1997)] reported in their paper on nu(3)(A(1)) bands of the (35,37)Cl and (16,18)O isotopomers of FClO(3) that the nu(3) bands, which, although weak, could be well observed for the (16)O isotopomers, disappear almost completely in the spectra of the (18)O isotopomers. Because the A and B values for the (18)O isotopomers are so similar that these molecules are very close to spherical tops, much closer than the values for the (16)O species, disappearance of the band was ascribed to selection rules for tetrahedral molecules, the A(1) vibrations of which are inactive. Alternative explanations are proposed in this paper and analyzed. The most likely explanation is that a coincidence among the intensity parameters is responsible for a very low value of the dipole moment derivative; a weak Fermi resonance with the (v(6) = 2, l = 0) state may also participate in the final total wipeout of the band. It is believed that the last mechanism may be of more general interest. Copyright 2000 Academic Press. 相似文献
10.
Ulenikov ON Bürger H Jerzembeck W Onopenko GA Zhabina EA Kozinskaia VA 《Journal of Molecular Spectroscopy》2000,203(1):132-139
High-resolution Fourier transform spectra of HDSe in the region of the 2nu(3) and 3nu(3) bands were recorded and analyzed for five different (M)Se isotopic HDSe species. Energies obtained from rovibrational analyses of the (002) and (003) states, together with those taken of the (001) state from an earlier study [O. N. Ulenov, G. A. Onopenko, N. E. Tyabaeva, H. Bürger, and W. Jerzembeck, J. Mol. Spectrosc. 198, 27-39 (1999)], were used as input information for a "Global Fit" procedure. This fit provided 34 spectroscopic parameters for the HD(80)Se species which reproduced rotational-vibrational transitions of the (001), (002), and (003) states within experimental accuracy. Corresponding analyses were performed for the other (M)Se (M = 82, 78, 77, and 76) species. Copyright 2000 Academic Press. 相似文献
11.
Belli S Buffa G Di Lieto A Minguzzi P Tarrini O Tonelli M 《Journal of Molecular Spectroscopy》2000,201(2):314-318
We studied the hyperfine components of the (J = 10-9, Kl = 9) rotational transition in the v(6) = 1 excited vibrational state of CH(3)I, using collinear infrared and mm-wave radiations. The Doppler-free double-resonance technique allowed an accurate determination of the collisional broadening parameters for all the hyperfine components. An evident dependence on the F quantum number was observed and this result is perfectly consistent with a theoretical model allowing calculations of collisional broadening and coupling for the hyperfine components. Copyright 2000 Academic Press. 相似文献
12.
Pracna P Margulès L Cosléou J Demaison J Mkadmi EB Bürger H 《Journal of Molecular Spectroscopy》2000,199(1):54-58
The nu(5) fundamental band of trifluorosilane-d (SiDF(3)) at 627 cm(-1) was studied for the first time by high-resolution FTIR spectroscopy at a resolution of 2.4 x 10(-3) cm(-1). The analysis was performed simultaneously with available microwave and newly measured submillimeter-wave data in the approximation of an isolated degenerate fundamental level of a C(3 Kv) symmetric top molecule leading to a standard deviation of 0.22 x 10(-3) cm(-1) for the reproduction of the infrared wavenumbers, 36 kHz for the microwave, and 198 kHz for the submillimeter-wave frequencies, respectively. The unitary equivalence between the two reductions (Q and D) of the effective Hamiltonian applied in the analysis is demonstrated. Copyright 2000 Academic Press. 相似文献
13.
Imajo T Tokieda K Nakashima Y Tanaka K Tanaka T 《Journal of Molecular Spectroscopy》2000,204(1):21-25
Ultraviolet emission spectrum of the B(2)Sigma(+) (v = 0)-X(2)Sigma(+) (v = 0) transition of the PN(+) ion has been observed at a resolution of 0.05 cm(-1) by a Fourier transform spectrometer. The rotational analysis led to a great improvement of rotational constants in the B(2)Sigma(+) (v = 0) and X(2)Sigma(+) (v = 0) states as well as to the first determination of centrifugal distortion constants for both levels and spin-rotation interaction constant in the X(2)Sigma(+) (v = 0) state. Rotational perturbation in the B(2)Sigma(+) (v = 0) state was observed. Copyright 2000 Academic Press. 相似文献
14.
Near-infrared and visible spectra of the A(2)Pi-X(2)Sigma(+), C(2)Pi(1/2)-A(2)Pi(1/2), C(2)Pi(1/2)-B(2)Sigma(+), and C(2)Pi(1/2)-X(2)Sigma(+) band systems of the BaI molecule were recorded by using Fourier transform spectroscopy (FTS). The spectra were produced from the chemiluminescent reaction Ba + I(2) and also by using laser-induced fluorescence (LIF) technique in which the laser sources were a Ti:sapphire single-mode laser, a dye single-mode laser, and a Kr(+) multimode ion laser. Resolved rotational data, originating from 19 vibrational levels (0 = v = 5 and 7 = v = 19) of the A(2)Pi state, 24 vibrational levels (0 = v = 18 and 20 = v = 24) of the X(2)Sigma(+) state, and 8 vibrational levels (1 = v = 2 and 9 = v = 14) of the C(2)Pi state, were used in the final analysis. Previously recorded data for the B(2)Sigma(+)-X(2)Sigma(+) and C(2)Pi-X(2)Sigma(+) systems, taken from R. F. Gutterres, J. Vergès, and C. Amiot, J. Mol. Spectrosc. 196, 29-44 (1999) and from C. A. Leach, A. A. Tsekouras, and R. N. Zare, J. Mol. Spectrosc. 153, 59-72 (1992), were added to the present work data field. Accurate and improved molecular constants, for the X(2)Sigma(+), B(2)Sigma(+), A(2)Pi, and C(2)Pi states, were derived from a simultaneous treatment of the whole data set. Copyright 2000 Academic Press. 相似文献
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Ulenikov ON Bürger H Jerzembeck W Onopenko GA Zhabina EA Yuhnik YB 《Journal of Molecular Spectroscopy》2000,204(2):195-203
High-resolution Fourier transform spectra of the D(2)(M)Se with M = 76, 77, 78, 80, and 82 in the regions of the first and second bending overtones 2nu(2) and 3nu(2) near 1480 and 2210 cm(-1), respectively, were recorded for the first time and assigned. On the basis of these experimental data, rotation-vibration energies were determined and fitted together with those of the (010) state reported earlier (W. Jerembeck, H. Bürger, J.-M. Flaud, and Ph. Arcas, J. Mol. Spectrosc. 197, 215-221 (1999)) by using the "Global Fit" procedure. The obtained set of 43 fitted parameters for these three vibrational states of the D(2)(80)Se species (altogether 86 fitted parameters for 12 states of five M species) reproduces the rotation-vibration energies of all studied states with accuracies close to experimental uncertainties. Copyright 2000 Academic Press. 相似文献
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The 3nu(1) and 3nu(1) + nu(3) bands of propyne have been recorded at Doppler-limited resolution by Fourier transform spectroscopy and intracavity laser absorption spectroscopy, respectively. The two bands show a mostly unperturbed J rotational structure for each individual K subband. However, as a rule the K structure ordering is perturbed in overtone transitions of propyne and different effective parameters associated with each K subband have been determined. From the vibrational energy levels, a value of -6.6 cm(-1) has been obtained for the x(13) cross anharmonicity in perfect agreement with the origins of the nu(1) + nu(3) and 2nu(1) + nu(3) combination bands estimated from the FTIR spectrum. Hot bands from the v(9) = 1 and v(10) = 1 levels associated with the 3nu(1) + nu(3) combination band have been partly rotationally analyzed and the retrieved values of x(39) and x(3,10) are in good agreement with literature values. Finally, the 4nu(1) + nu(9) - nu(9) band centered at 12 636.6 cm(-1) has been recorded by ICLAS. The red shift of this hot band relative to 4nu(1) and the DeltaB(v) value are discussed in relation to the anharmonic interaction between the 4nu(1) and 3nu(1) + nu(3) + nu(5) levels. Copyright 2000 Academic Press. 相似文献