Rotational Structure at the Long Wavelength End of the 2900 Å System of SO2

1974 ◽  
Vol 52 (15) ◽  
pp. 1443-1457 ◽  
Author(s):  
Y. Hamada ◽  
A. J. Merer
Keyword(s):  
Electronic State ◽  
Geometric Structure ◽  
Theoretical Calculations ◽  
Rotational Structure ◽  
Rotational Analysis ◽  
Long Wavelength ◽  
Isotope Data ◽  
Type C

Rotational analyses have been carried out for the three longest wavelength bands observable in the '2900 Å system' of SO2 (at 3340, 3359, and 3395 Å). Although the bands are perturbed quite severely it has been possible to prove that they are type C bands, and that the approximate upper state geometric structure of the molecule is r(S—O) = 1.53 Å, [Formula: see text]. Comparison with the theoretical calculations of Hillier and Saunders now leaves little doubt that the upper electronic state is the π → π* 1A2 state, appearing in absorption by Herzberg–Teller mixing through Q3′(b2), as recently proposed by Dixon and Hallé. A vibrational numbering for these bands is given, which is consistent with the inertial defect obtained from the rotational analysis, and with recent isotope data published by Brand and Nanes: the 3395 Å band appears to be 031–000, and the electronic origin falls near 27 930 cm−1.

THE SPECTRUM AND STRUCTURE OF THE HNO MOLECULE

1958 ◽  
Vol 36 (10) ◽  
pp. 1336-1371 ◽  
Author(s):  
F. W. Dalby
Keyword(s):  
Nitric Oxide ◽  
Absorption Spectrum ◽  
Electronic State ◽  
Flash Photolysis ◽  
Molecular Geometry ◽  
Rotational Analysis ◽  
Experimental Conditions ◽  
Long Wavelength ◽  
Lower Electronic State ◽  
State Formula

The absorption spectrum of HNO in the region 6500–7700 Å has been photographed on a 35-ft grating. The observed spectrum consists of three bands: an intense one at the long-wavelength end of the spectrum and two weaker bands towards shorter wavelengths. All the bands have extensive rotational structure of the perpendicular type. The spectrum was observed after the flash photolysis of nitromethane, nitroethane, isoamyl nitrite, and mixtures of nitric oxide and ammonia. The "lifetime" of the HNO was about 1/10 second under our experimental conditions. The spectrum of DNO has also been photographed. From the constants obtained from the rotational analysis the molecular geometry has been determined. For the lower electronic state[Formula: see text]For the upper electronic state[Formula: see text]The most probable identification of the observed electronic transition is 1A″ ← 1A′.

THE ABSORPTION SPECTRUM OF CF2

1967 ◽  
Vol 45 (7) ◽  
pp. 2355-2374 ◽  
Author(s):  
C. Weldon Mathews
Keyword(s):  
Absorption Spectrum ◽  
Electronic State ◽  
Ground State ◽  
Band System ◽  
Electronic States ◽  
Vibrational Structure ◽  
Rotational Structure ◽  
Transition Moment ◽  
High Dispersion ◽  
Parallel Type

The absorption spectrum of CF2 in the 2 500 Å region has been photographed at high dispersion, and the rotational structure of a number of bands has been analyzed. The analysis of the well-resolved subbands establishes that these are perpendicular- rather than parallel-type bands, as previously assigned. Further analysis shows that the upper and lower electronic states are of 1B1 and 1A1symmetries respectively, corresponding to a transition moment that is perpendicular to the plane of the molecule. In the upper electronic state, r0(CF) = 1.32 Å and [Formula: see text], while in the ground state, r0(CF) = 1.300 Å and [Formula: see text]. An investigation of the vibrational structure of the band system has shown that the vibrational numbering in ν2′ must be increased by one unit from earlier assignments, thus placing the 000–000 band near 2 687 Å (37 220 cm−1). A search between 1 300 and 8 500 Å showed two new band systems near 1 350 and 1 500 Å which have been assigned tentatively to the CF2 molecule.

Theoretical calculations of electronic Raman effects of the NO and O2 molecules

1970 ◽  
Vol 48 (14) ◽  
pp. 1664-1674 ◽  
Author(s):  
D. W. Lepard
Keyword(s):  
Raman Spectrum ◽  
Raman Spectra ◽  
Theoretical Calculations ◽  
Diatomic Molecules ◽  
Wave Functions ◽  
Rotational Structure ◽  
Intermediate Case ◽  
First Time

This paper presents a method for calculating the relative intensities and Raman shifts of the rotational structure in electronic Raman spectra of diatomic molecules. The method is exact in the sense that the wave functions used for the calculations may belong to any intermediate case of Hund's coupling schemes. Using this method, theoretical calculations of the pure rotational and electronic Raman spectrum of NO, and the pure rotational Raman spectrum of O2, are presented. Although a calculated stick spectrum for NO was previously shown by Fast et al., the details of this calculation are given here for the first time.

The A2Π–X2Σ+ system of MgCl

1987 ◽  
Vol 65 (12) ◽  
pp. 1594-1603 ◽  
Author(s):  
M. Singh ◽  
G. S. Ghodgaonkar ◽  
M. D. Saksena
Keyword(s):  
High Resolution ◽  
Structure Analysis ◽  
Vibrational Level ◽  
High Frequency ◽  
Low Frequency ◽  
Rotational Structure ◽  
Rotational Analysis ◽  
The Common ◽  
Π State

The A2Π–X2Σ+ system of MgCl has been photographed at high resolution and analyzed for the rotational structure. Analysis of the low-frequency sub-bands of the 0–0, 0–1, and 0–2 bands showed that there is a nonzero Λ doubling in the common vibrational level ν′ = 0, thereby indicating that the A2Π state is regular and not inverted as presumed by earlier workers. Spin-doubling has been seen in the ν = 1 and 2 levels of the X2Σ+ state. Rotational analysis of the high-frequency sub-band has also been done for the 0–0 band.

The absorption spectrum of gaseous hydrogen bromide in the schumann region I. Rotational analysis

1961 ◽  
Vol 263 (1313) ◽  
pp. 259-276 ◽  
Keyword(s):  
Absorption Spectrum ◽  
Hydrogen Bromide ◽  
Electronic States ◽  
Gaseous Hydrogen ◽  
Rotational Structure ◽  
Resolving Power ◽  
Rotational Analysis ◽  
Region I

The absorption spectrum of gaseous hydrogen bromide has been photographed in the region 1180 to 1500 Å, using fourth and fifth orders of a 3 m grating. About forty bands have been observed. The resolving power sufficed for the study of most of the discrete rotational structure. The analysis reveals that few of the bands are related in vibrational progressions and shows rather that they are to be associated with atleast thirty new electronic states.

scholarly journals The spectrum of rubidium hydride, RbH I. Analysis

1939 ◽  
Vol 173 (952) ◽  
pp. 28-37 ◽  
Keyword(s):  
Absorption Spectrum ◽  
Electronic Transition ◽  
Rotational Constant ◽  
Rotational Structure ◽  
Rotational Analysis ◽  
The Many ◽  
Sodium And Potassium ◽  
Line Type ◽  
Overlapping Bands

The spectra of the diatomic hydrides of lithium, sodium and potassium have been studied both in absorption and in emission by several authors, LiH by Nakamura (1930, 1931) and Crawford and Jorgensen (1935), NaH by Hori (1930, 1931) and Olsson (1935), KH by Almy and Hause (1932) and Hori (1933), and recently Almy and Rassweiler (1938) have published details of the absorption spectrum of caesium hydride. All these hydrides show spectra of the “ many-line” type consisting of numerous overlapping bands with open rotational structure and no obvious heads. A rotational analysis shows that they all have the same type of electronic transition, 1Σ → 1Σ ,and are very strongly degraded towards the red. These spectra are all anomalous in that the frequency, ω´ v , and the rotational constant, B'v,increase at first with increasing initial vibrational quantum numbe v `.

STRUCTURE OF THE BAND SPECTRUM OF THE CuBr MOLECULE: I. ROTATIONAL STRUCTURE OF THE C SYSTEM OF 63Cu81Br

1967 ◽  
Vol 45 (8) ◽  
pp. 2805-2807 ◽  
Author(s):  
P. Ramakoteswara Rao ◽  
K. V. S. R. Apparao
Keyword(s):  
Fine Structure ◽  
High Resolution ◽  
Structure Analysis ◽  
Band System ◽  
Rotational Structure ◽  
Band Spectrum ◽  
Rotational Analysis ◽  
Molecular Constants ◽  
Fine Structure Analysis

The C band system of 63Cu81Br, lying in the region 3 900–4 600 Å, has been photographed in emission under high resolution and rotational analysis of the (2–0), (1–0), (0–0), (0–1), (0–2), and (1–3) bands carried out. The system is shown to involve a 1Σ(C1Σ)–1Σ(X1Σ) transition. The molecular constants of 63Cu81Br obtained from this fine-structure analysis are as follows:[Formula: see text]

Emission Spectrum of the PO Molecule. Part III. Spectrum in the Red Region

1972 ◽  
Vol 50 (13) ◽  
pp. 1579-1586 ◽  
Author(s):  
S. Guha ◽  
S. S. Jois ◽  
R. D. Verma
Keyword(s):  
Emission Spectrum ◽  
Structure Study ◽  
Rotational Structure ◽  
Rotational Analysis ◽  
Vibrational Levels ◽  
Π State

Four new bands in the red region are observed which have been described in terms of A2Σ+–B2Σ+ and F2Σ+–B2Σ+ systems. A rotational analysis together with deperturbation calculation of one band at 6763 Å has shown that A2Σ+ (ν = 7) and F2Σ+ (ν = 0) vibrational levels are involved in a homogeneous perturbation. The rotational structure study of three bands of a new transition I2Σ+–A2Σ+ has been carried out. From the study of heterogeneous perturbations observed in the I vibrational levels, it has been suggested that the perturbing state is a 2Π state arising from the 3d complex.

ROTATIONAL ANALYSIS OF THE VISIBLE EMISSION BANDS OF THE PbF MOLECULE

1964 ◽  
Vol 42 (4) ◽  
pp. 690-695 ◽  
Author(s):  
K. Madhusudana Rao ◽  
P. Tiruvenganna Rao
Keyword(s):  
Band System ◽  
Second Order ◽  
Rotational Structure ◽  
Visible Emission ◽  
Rotational Analysis ◽  
Rotational Constants ◽  
Visible Band ◽  
System A ◽  
Concave Grating

The rotational structure of the (0, 0), (0, 1), (0, 2), and (1, 0) bands of the visible band system (A–X1) of PbF has been examined in the second order of a 21-ft concave grating spectrograph having a dispersion of 1.25 Å/mm. A rotational analysis of the bands has led to a determination of the rotational constants of the upper and lower states. From consideration of electron configurations it is suggested that the system arises from a [Formula: see text] transition which is a case c equivalent of [Formula: see text].

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