High-resolution spectroscopy of the (000)–(000) band of the CaOD radical

1994 ◽  
Vol 72 (11-12) ◽  
pp. 1200-1205 ◽  
Author(s):  
Mingguang Li ◽  
John A. Coxon
Keyword(s):  
High Resolution ◽  
Gas Phase ◽  
Ground State ◽  
Measurement Accuracy ◽  
Isotope Effects ◽  
Spin Rotation ◽  
High Resolution Spectroscopy ◽  
Rotational Line ◽  
Measured Line ◽  
Line Positions

The [Formula: see text] (000)–(000) band of the gas-phase CaOD radical has been rotationally analyzed using high-resolution laser spectroscopy. The technique of intermodulated fluorescence was employed to resolve the small spin-rotation splittings in the ground state. The measurement accuracy of the rotational line positions was 0.003 cm−1. The measured line positions have been employed in a least-squares estimation of the molecular constrants for both electronic states. Isotope relations between the constants of CaOH and CaOD are examined, and the constants AD and γ for the Ã2Π(000) level were separated using isotope effects.

High-resolution emission bands of the A2Π – X2Π system of SO+

1984 ◽  
Vol 62 (12) ◽  
pp. 1792-1800 ◽  
Author(s):  
J. L. Hardwick ◽  
Yin Luo ◽  
D. H. Winicur ◽  
J. A. Coxon
Keyword(s):  
High Resolution ◽  
Ground State ◽  
Band System ◽  
Equilibrium Constants ◽  
Molecular Constants ◽  
Visible Band ◽  
Medium Resolution ◽  
Self Consistent ◽  
Measured Line ◽  
Line Positions

The A2Πi → X2Πr visible band system of SO+ has been recorded photographically at high resolution. Molecular constants for the A and X states have been fitted to the measured line positions of the 0–5, 0–6, 1–5, and 1–6 bands. Λ-type doubling was resolved completely for most of the lines of the 2Π1/2 – 2Π1/2 sub-bands, and has led to the first reported values of the splitting constants p′ and p″. All the estimated constants have been merged with constants obtained previously from medium-resolution spectra for other levels of the X2Π ground state. A self-consistent set of constants is reported for ν′ = 0 and 1 and for ν = 4–9, together with revised equilibrium constants.

High-resolution laser-excitation spectrum of the A2Π ← X2Σ system of TiN: rotational analysis of the 0–0, 1–1, and 2–2 bands

1985 ◽  
Vol 63 (7) ◽  
pp. 997-1004 ◽  
Author(s):  
K. Brabaharan ◽  
J. A. Coxon ◽  
A. Brian Yamashita
Keyword(s):  
High Resolution ◽  
Least Squares ◽  
Excitation Spectrum ◽  
Laser Excitation ◽  
Rotational Analysis ◽  
Molecular Constants ◽  
Individual Bands ◽  
Measured Line ◽  
Line Positions ◽  
Π State

The 0–0, 1–1, and 2–2 bands of the A2Π ← X2Σ system of TiN have been recorded using the technique of laser-excitation spectroscopy. Molecular constants have been obtained from direct least squares fits of the measured line positions of individual bands. The fitted constants confirm and extend previous determinations; for the A2Π state, some of the constants show unusually large variations with ν, in accord with the already known perturbation of this state in the ν = 0 level.

Born–Oppenheimer breakdown in the ground state of carbon monoxide: A direct reduction of spectroscopic line positions to analytical radial Hamiltonian operators

1992 ◽  
Vol 70 (1) ◽  
pp. 40-54 ◽  
Author(s):  
John A. Coxon ◽  
Photos G. Hajigeorgiou
Keyword(s):  
Carbon Monoxide ◽  
Ground State ◽  
Direct Reduction ◽  
Direct Determination ◽  
Quantum Mechanical ◽  
Rotational Line ◽  
Molecular Constants ◽  
Full Account ◽  
Radial Wave ◽  
Line Positions

A collection of 10 866 of the most precise ground-state (X1Σ+) vibration–rotational and pure rotational line positions of four carbon monoxide isptopomers (12C16O, 12C18O, 13C16O, and 13C18O) is employed simultaneously in a direct determination of the radial Hamiltonian operator in compact analytical form. The 22-parameter isotopically self-consistent operator takes full account of the Born–Oppenheimer breakdown and its quantum-mechanical eigenvalues represent all the available spectroscopic line positions of CO isotopomers to within the experimental uncertainties. Rayleigh–Schrödinger perturbation theory is employed to calculate quantum-mechanical molecular constants of rotation (Bν – Mν) for nine common isotopomeric forms of CO. Together with the quantum-mechanical vibrational eigenvalues these are fully consistent with the exact eigenvalues obtained by direct solution of the radial wave equation. The set of constants is expected to provide an accurate prediction of line positions of CO isotopomers that have not yet been experimentally observed.

scholarly journals Shapes, Dynamics, and Stability of β-Ionone and Its Two Mutants Evidenced by High-Resolution Spectroscopy in the Gas Phase

2018 ◽  
Vol 9 (7) ◽  
pp. 1497-1502 ◽  
Author(s):  
Iciar Uriarte ◽  
Sonia Melandri ◽  
Assimo Maris ◽  
Camilla Calabrese ◽  
Emilio J. Cocinero
Keyword(s):  
High Resolution ◽  
Gas Phase ◽  
High Resolution Spectroscopy

Charge transfer by electronic excitation: Direct measurement by high resolution spectroscopy in the gas phase

2009 ◽  
Vol 131 (21) ◽  
pp. 211101 ◽  
Author(s):  
A. J. Fleisher ◽  
P. J. Morgan ◽  
D. W. Pratt
Keyword(s):  
Charge Transfer ◽  
High Resolution ◽  
Gas Phase ◽  
Direct Measurement ◽  
Electronic Excitation ◽  
High Resolution Spectroscopy

Proton transfer dynamics via high resolution spectroscopy in the gas phase and instanton calculations

2004 ◽  
Vol 120 (24) ◽  
pp. 11351-11354 ◽  
Author(s):  
Joseph R. Roscioli ◽  
David W. Pratt ◽  
Zorka Smedarchina ◽  
Willem Siebrand ◽  
Antonio Fernández-Ramos
Keyword(s):  
High Resolution ◽  
Proton Transfer ◽  
Gas Phase ◽  
High Resolution Spectroscopy

High Resolution Infrared Detection of O=PF in the Gas Phase

1999 ◽  
Vol 54 (8-9) ◽  
pp. 507-512 ◽  
Author(s):  
P. Paplewski ◽  
H. Bürger ◽  
H. Beckers
Keyword(s):  
Excited State ◽  
High Resolution ◽  
Gas Phase ◽  
Ground State ◽  
Infrared Detection ◽  
Centrifugal Distortion ◽  
Perfect Agreement ◽  
The Matrix ◽  
Centrifugal Distortion Constants ◽  
Matrix Ir Spectra

Short-lived phosphenous fluoride, 0=PF, has been made by flash pyrolysis of F2POPF2 in Ar at 1200°C and detected by gas phase IR spectroscopy. The υ1 band, υ0 = 1297.5372 cm-1 , has been studied with a resolution of 8 x 10-3 cm-1 , and about 1500 transitions have been assigned. These were fitted using a Watson-type Hamiltonian, σ = 1.5 x 10-3 cm-1 , to excited state parameters up to quartic centrifugal distortion constants. The υ2 band was located at 819.58 cm-1 . An extended set of ground state parameters was obtained by combining recently measured microwave transitions with ground state combination differences formed from υ1 transitions. The experimental results are in perfect agreement with the matrix IR spectra, mw measurements and ab initio calculations but disagree with a recently claimed low resolution detection of OPF in the gas phase.

Vibration–rotation spectra of nitrous acid, HONO

1985 ◽  
Vol 63 (7) ◽  
pp. 962-965 ◽  
Author(s):  
C. M. Deeley ◽  
I. M. Mills ◽  
L. O. Halonen ◽  
J. Kauppinen
Keyword(s):  
Fourier Transform ◽  
Excited State ◽  
Standard Deviation ◽  
High Resolution ◽  
Infrared Spectra ◽  
Ground State ◽  
Nitrous Acid ◽  
Vibration Rotation ◽  
Line Positions ◽  
Better Than

High-resolution Fourier-transform infrared spectra have been recorded and analyzed for the ν4 ν5, and ν6 fundamental bands of trans-HONO, and for the ν4 fundamental of cis-HONO. The spectral resolution was better than 0.01 cm−1, and the rotational structure has been analyzed to give improved ground-state and excited-state rotational constants, with a standard deviation of the fit to the observed line positions of around 0.0006 cm−1. Two Coriolis interactions have been analyzed between the ν5 and ν6 bands of trans-HONO.

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