Infrared and Visible Emission Spectrum of the NO Molecule. The 2Δ–2Π Bands of the 3d–3p and 4d–3p Transitions between Rydberg Complexes

1971 ◽  
Vol 49 (1) ◽  
pp. 76-89 ◽  
Author(s):  
F. Ackermann
Keyword(s):  
High Resolution ◽  
Emission Spectrum ◽  
Rydberg State ◽  
Energy Levels ◽  
Rydberg States ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Rotational Analysis ◽  
Mixed States ◽  
Doublet Splitting

The two mutually related bands B′2Δ–C2Π (7,0) → N2Δ–C2Π (0,0) and N2Δ–C2Π (0,0) → B′2Δ–C2Π (7,0) are observed with high resolution between 6620 and 6520 Å in the emission spectrum of the NO molecule. They are the 2Δ–2Π part of the 4d–3p transitions between the two Rydberg states N2Δ(4dδ) and C2Π (3pπ) of the molecule. A rotational analysis is carried out for both bands, and the very close similarity of the structure of these bands with the structure of the corresponding 2Δ–2Π bands of the 3d–3p transitions, observed in the infrared, is demonstrated. The two upper levels in these nd–3p transitions represent examples of mixed states showing complete changeover with increasing rotation from the Rydberg type with no spin–orbit coupling (AR = 0.00 ± 0.05 cm−1) to an inverted valence type and vice versa. The behavior of the doublet splitting is studied with regard to this changeover. The lower levels of the Rydberg state C2Π also are mixtures with levels of a valence state. The mixing with B2Π (ν = 7) is comparatively small in the C2Π (ν = 0) level, but it strongly affects the energy levels with the lowest J values. The beginning of one of the two bands observed in the visible, therefore, forms the (7,7) band of the system B′2ΔB2Π. Constants of the states involved are determined.

Rotational Analysis of the PH and PD A3Πi–X3Σ− Band Systems

1974 ◽  
Vol 52 (14) ◽  
pp. 1274-1287 ◽  
Author(s):  
J. Rostas ◽  
D. Cossart ◽  
J. R. Bastien
Keyword(s):  
Fine Structure ◽  
High Resolution ◽  
Simple Model ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Rotational Analysis ◽  
Centrifugal Distortion ◽  
Coupling Parameters ◽  
Spin Orbit Interactions

PH and PD radicals have been produced in a Schüler type discharge through PH3 and PD3. Besides the already known (0–0) bands of PH and PD, new bands, namely the (0–1) band of PH and the (1–0) and (1–1) bands of PD have been photographed in emission, under high resolution. Rotational analyses have been performed for these six bands and also for the (1–0) band of PH analyzed earlier by Legay in absorption. The 3Π and 3Σ states fine structure has been interpreted by a simple model, which includes spin–spin, and second-order spin–orbit interactions and also centrifugal distortion effects both on rotational and spin–orbit coupling parameters. The ν dependence of the different molecular parameters has been examined and interpreted where possible.

High-resolution gas phase P L-edge photoabsorption spectra of PF5

2007 ◽  
Vol 85 (10) ◽  
pp. 690-694 ◽  
Author(s):  
Y F Hu ◽  
L Zuin ◽  
R Püttner
Keyword(s):  
High Resolution ◽  
Gas Phase ◽  
Rydberg State ◽  
Rydberg States ◽  
Ligand Field ◽  
Spin Orbit ◽  
Field Splitting ◽  
Vibrational Progression ◽  
Rydberg Transitions ◽  
Franck Condon

High-resolution photoabsorption spectra of P 2s and 2p levels of PF5 are reported. Fine structure, due to spin-orbit and ligand field splittings together with strong vibrational progression, is resolved in the Rydberg region of the P 2p spectrum. A ligand field splitting of 31 meV for the 2p3/2 orbital is obtained from the fit of the Rydberg transitions. The Franck–Condon fit analysis revealed that the vibrational progression of the higher Rydberg states is different from that of the valence-Rydberg mixed 4s state. In particular, we derived a decrease in P–F bond distances of 12 and 28 pm for the 4s valence-Rydberg mixed state and the high nl Rydberg states, respectively. The natural linewidths of the P 2p levels were determined to be 55 meV.Key words: PF5, Rydberg state, vibrational, ligand field splitting, photoabsorption.

Ground configuration splitting in UCl5

1977 ◽  
Vol 55 (10) ◽  
pp. 937-942 ◽  
Author(s):  
A. F. Leung ◽  
Ying-Ming Poon
Keyword(s):  
Crystal Field ◽  
Energy Levels ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Coupling Constant ◽  
Point Charge Model ◽  
X Ray Crystallography ◽  
Charge Model ◽  
Crystal Field Parameters

The absorption spectra of UCl5 single crystal were observed in the region between 0.6 and 2.4 μm at room, 77, and 4.2 K temperatures. Five pure electronic transitions were assigned at 11 665, 9772, 8950, 6643, and 4300 cm−1. The energy levels associated with these transitions were identified as the splittings of the 5f1 ground configuration under the influence of the spin–orbit coupling and a crystal field of C2v symmetry. The number of crystal field parameters was reduced by assuming the point-charge model where the positions of the ions were determined by X-ray crystallography. Then, the crystal field parameters and the spin–orbit coupling constant were calculated to be [Formula: see text],[Formula: see text], [Formula: see text], and ξ = 1760 cm−1. The vibronic analysis showed that the 90, 200, and 320 cm−1 modes were similar to the T2u(v6), T1u(v4), and T1u(v3) of an UCl6− octahedron, respectively.

Absorption spectrum of the NO molecule. VIII. The heterogeneous (2Σ–2Π) interactions between excited states

1968 ◽  
Vol 46 (8) ◽  
pp. 987-1003 ◽  
Author(s):  
Ch. Jungen ◽  
E. Miescher
Keyword(s):  
Absorption Spectrum ◽  
High Resolution ◽  
Excited States ◽  
Rydberg State ◽  
Vacuum Ultraviolet ◽  
Principal Quantum Number ◽  
Rydberg States ◽  
Infrared Emission ◽  
Strong Interactions ◽  
Rydberg Series

Heterogeneous perturbations 2E+ ~ 2Π of largely different magnitudes are observed with high resolution in the vacuum-ultraviolet absorption and in the infrared emission spectrum of the NO molecule. The rotational interactions between 2Σ+ Rydberg states and levels of the B2Π non-Rydberg state are shown to be "configurationally forbidden", but produced by the configuration interaction between the non-Rydberg levels and 2Π Rydberg states. The latter together with the 2Σ+ Rydberg states form p complexes. In this way the interactions display the l uncoupling in the complexes; they can be evaluated theoretically and can be analyzed fully. The cases of the strong interactions D2Σ+(v = 3) ~ B2Π(v = 16)and D2Σ+(v = 5) ~ B2Π(v = 21) and of the weaker D2Σ+(v = 1) ~ B2Π(v = 11), all three observed as perturbations in ε bands crossing 3 bands, are discussed in detail. It is further shown that perturbations between γ bands and β bands as well as perturbations between analogous bands of higher principal quantum number are absent, and thus the assignment of the A2Σ+ and E2Σ+ states to the s Rydberg series is confirmed.

ROTATIONAL ENERGY LEVELS OF STATES AND INTENSITIES IN TRANSITIONS: APPLICATIONS TO SOME HEAVIER HYDRIDES

1967 ◽  
Vol 45 (8) ◽  
pp. 2581-2596 ◽  
Author(s):  
I. Kopp ◽  
J. T. Hougen
Keyword(s):  
Energy Levels ◽  
Relative Size ◽  
Orbit Interaction ◽  
Spin Splitting ◽  
Energy Separation ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
First Approximation ◽  
Coupling Case ◽  
Π State

Three topics concerning [Formula: see text] states are discussed: (1) The magnitude of the Ω-type splitting in a [Formula: see text] state arising from a Σ state of even multiplicity has been considered and is found to be given to a first approximation by [Formula: see text]. This result leads to the introduction and discussion of a coupling case (a′) for Σ states. (2) Expressions for the Λ-type splitting in a 2Π state and the spin splitting in a 2Σ state (caused by their mutual interaction via spin-orbit coupling) are derived. These expressions are valid when the rotational intervals are small compared to both the spin-orbit interaction and the 2Π−2Σ energy separation, but do not place any restriction on the relative size of the latter two quantities. (3) Branch intensity expressions are presented which apply to any [Formula: see text] transition in which the [Formula: see text] states are not contaminated (due to uncoupling phenomena) by states having a different value of Ω.

scholarly journals Characterization of spin–orbit autoionizing Rydberg states excited via one‐photon absorption from the F 1Δ2 Rydberg state of HBr

1996 ◽  
Vol 105 (8) ◽  
pp. 2978-2991 ◽  
Author(s):  
N. P. L. Wales ◽  
W. J. Buma ◽  
C. A. de Lange ◽  
H. Lefebvre‐Brion
Keyword(s):  
Rydberg State ◽  
Rydberg States ◽  
Photon Absorption ◽  
Spin Orbit

ELECTRONIC PROPERTIES OF A HYDROGENIC IMPURITY IN A QUANTUM WIRE WITH V-SHAPED CROSS-SECTION: SPIN-ORBIT COUPLING, RELATIVISTIC CORRECTION AND CONDUCTANCE

2013 ◽  
Vol 24 (07) ◽  
pp. 1350041 ◽  
Author(s):  
R. KHORDAD ◽  
H. BAHRAMIYAN
Keyword(s):  
Cross Section ◽  
Quantum Wire ◽  
Energy Levels ◽  
Relativistic Correction ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Hydrogenic Impurity ◽  
Mass Approximation ◽  
Shaped Cross Section

The effects of spin-orbit coupling (SOC) and relativistic correction (RC) on the energy levels of a hydrogenic impurity in a GaAs/Ga 1-x Al x As quantum wire are studied. The quantum wire has a V-shaped cross-section and the impurity located in its center. Our numerical calculations have done using a variational procedure within the effective mass approximation. Our results show that (i) the splitting due to the SOC decreases with increasing the wire width, (ii) the SOC and RC increase when the concentration increases, (iii) the SOC is zero for l = 0 (l is angular momentum) and nonzero for l ≠ 0, (iv) for a given wire width, the RC is different for l = 0 and l = 1 due to expectation values of [Formula: see text] and [Formula: see text] (r is distance between the electron and impurity). We also computed the conductance of the quantum wire with and without impurity.

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