High resolution ro–vibrational analysis of molecules in doublet electronic states: the ν1 fundamental of chlorine dioxide (16O35Cl16O) in the X2B1 electronic ground state

2021 ◽  
Author(s):  
Oleg N. Ulenikov ◽  
Elena S. Bekhtereva ◽  
Olga V. Gromova ◽  
Martin Quack ◽  
Kirill B. Berezkin ◽  
...  
Keyword(s):  
High Resolution ◽  
Line Width ◽  
Chlorine Dioxide ◽  
Ground State ◽  
Vibrational Analysis ◽  
Electronic States ◽  
Atmospheric Window ◽  
Instrumental Line ◽  
Ftir Spectrometer ◽  
Electronic Ground

We report the spectrum of the ν1 fundamental of ClO2 centered in the infrared atmospheric window at 945.592 cm−1 measured with essentially Doppler limited resolution at an instrumental line width of 0.001 cm−1 using the Zürich prototype ZP2001 FTIR spectrometer.

scholarly journals Technical note: Sensitivity of instrumental line shape monitoring for the ground-based high-resolution FTIR spectrometer with respect to different optical attenuators

2017 ◽  
Vol 10 (3) ◽  
pp. 989-997 ◽  
Author(s):  
Youwen Sun ◽  
Mathias Palm ◽  
Christine Weinzierl ◽  
Christof Petri ◽  
Justus Notholt ◽  
...  
Keyword(s):  
High Resolution ◽  
Line Shape ◽  
Radiant Energy ◽  
Technical Note ◽  
Total Carbon ◽  
Atmospheric Composition ◽  
Incident Intensity ◽  
Instrumental Line ◽  
Ftir Spectrometer ◽  
Potential Strategy

Abstract. The TCCON (Total Carbon Column Observing Network) and most NDACC (Network for Detection of Atmospheric Composition Change) sites assume an ideal ILS (instrumental line shape) for analysis of the spectra. In order to adapt the radiant energy received by the detector, an attenuator or different sizes of field stop can be inserted in the light path. These processes may alter the alignment of a high-resolution FTIR (Fourier transform infrared) spectrometer, and may result in bias due to ILS drift. In this paper, we first investigated the sensitivity of the ILS monitoring with respect to application of different kinds of attenuators for ground-based high-resolution FTIR spectrometers within the TCCON and NDACC networks. Both lamp and sun cell measurements were conducted after the insertion of five different attenuators in front of and behind the interferometer. The ILS characteristics derived from lamp and sun spectra are in good agreement. ILSs deduced from all lamp cell measurements were compared. As a result, the disturbances to the ILS of a high-resolution FTIR spectrometer with respect to the insertion of different attenuators at different positions were quantified. A potential strategy to adapt the incident intensity of a detector was finally deduced.

Vibrational Analysis of the 2800 Å Band System of para-Dibromobenzene

1972 ◽  
Vol 50 (12) ◽  
pp. 1402-1408 ◽  
Author(s):  
S. M. Japar
Keyword(s):  
Excited State ◽  
High Resolution ◽  
Ground State ◽  
Band System ◽  
Vibrational Analysis ◽  
Type A ◽  
Strong Type ◽  
Type B ◽  
Sequence Structure ◽  
Extensive Sequence

The 2800 Å band system of p-dibromobenzene has been photographed under high resolution and an extended vibrational analysis has been carried out. The analysis is not inconsistent with the assignment of the system to a 1B2u ← 1Ag transition, by analogy with other p-dihalogenated benzenes. The observed spectrum can be explained in terms of a number of strong type-B vibronic bands and a considerably smaller number of type-A vibronic bands. The extensive sequence structure is adequately accounted for, and can be related to observations on other halogenated benzene molecules. Thirteen ground state and nine excited state fundamental vibrational frequencies have been assigned.

Controlled intramolecular H-transfer in malonaldehyde in the electronic ground state mediated through the conical intersection of 1nπ* and 1ππ* excited electronic states

2019 ◽  
Vol 21 (36) ◽  
pp. 20018-20030 ◽  
Author(s):  
K. R. Nandipati ◽  
Arun Kumar Kanakati ◽  
H. Singh ◽  
S. Mahapatra
Keyword(s):  
Ground State ◽  
Electronic States ◽  
Laser Pulses ◽  
Electronic Ground State ◽  
Conical Intersection ◽  
Uv Laser ◽  
Excited Electronic States ◽  
Electronic Ground

We report photo-isomerization of malonaldehyde in its electronic ground state (S0), mediated by coupled 1nπ*(S1)–1ππ*(S2) excited electronic states, accomplished with the aid of optimally designed ultraviolet (UV)-laser pulses.

Abinitio SCF and MRD-CI description of the A2A′ – X2A″ transition of the as yet unknown HNCl molecule

1985 ◽  
Vol 63 (11) ◽  
pp. 3264-3268 ◽  
Author(s):  
Britta L. Schürmann ◽  
Robert J. Buenker
Keyword(s):  
Ground State ◽  
Mode Coupling ◽  
Vibrational Analysis ◽  
Electronic States ◽  
Oscillator Strengths ◽  
Fundamental Frequencies ◽  
Condon Factors ◽  
Franck Condon ◽  
Linear Geometry ◽  
Made In

Abinitio potential curves of the X2A″ ground state and the first excited A2A′ state (2Π in linear geometry) of HNCl are calculated employing multi-reference single- and double-excitation configuration interaction in order to aid in the search for this system experimentally. A vibrational analysis (frequencies and Franck–Condon factors) of the A2A′ – X2A″ transition is undertaken by neglecting coupling between the various modes. Diagonal and off-diagonal force constants together with the fundamental frequencies have been calculated by including mode coupling for both electronic states, and oscillator strengths and radiative lifetimes are also obtained. Comparison with theoretical and experimental results for other isovalent systems is also made in order to establish trends in this group of HAB systems.

Spectrum of AsS. I. Analysis of the A′2Π3/2–X2Π3/2 Band System

1971 ◽  
Vol 49 (10) ◽  
pp. 1249-1254 ◽  
Author(s):  
Midori Shimauchi
Keyword(s):  
High Resolution ◽  
Emission Spectrum ◽  
Ground State ◽  
Band System ◽  
Vibrational Analysis ◽  
Quartz Tube ◽  
Rotational Analysis ◽  
Vibrational Constants

The emission spectrum of the AsS radical, excited in a quartz tube by a 2450 MHz oscillator, was photographed on a high resolution spectrograph from 2450 to 6900 Å. Seven bands around 6000 Å showing clear rotational structures were chosen for the first rotational analysis of the AsS spectrum. The bands were found to arise from a 2Π3/2–2Π3/2 transition. The rotational and vibrational constants of the two states derived from the present work are consistent with the previous vibrational analysis of the A′2Π3/2–X2Π3/2 system. The constants of the upper doublet component of the ground state, X2Π3/2, are ωe = 562.40 cm−1, ωexe = 2.02 cm−1, re = 2.0216 Å; the constants of the A′2Π3/2 state are ΔG′(1/2) = 403.37 cm−1, ν0,0 = 18 621.21 cm−1, re = 2.2500 Å.

Ozone spectroscopy in the electronic ground state: High-resolution spectra analyses and update of line parameters since 2003

2013 ◽  
Vol 130 ◽  
pp. 172-190 ◽  
Author(s):  
A. Barbe ◽  
S. Mikhailenko ◽  
E. Starikova ◽  
M.-R. De Backer ◽  
Vl.G. Tyuterev ◽  
...  
Keyword(s):  
High Resolution ◽  
Ground State ◽  
Electronic Ground State ◽  
Electronic Ground

HIGH RESOLUTION RAMAN SPECTROSCOPY OF GASES: IX. SPECTRA OF H2, HD, AND D2

1957 ◽  
Vol 35 (6) ◽  
pp. 730-741 ◽  
Author(s):  
B. P. Stoicheff
Keyword(s):  
Raman Spectroscopy ◽  
High Resolution ◽  
Power Series ◽  
Infrared Spectra ◽  
Ground State ◽  
Power Series Expansion ◽  
Experimental Accuracy ◽  
Vibrational Bands ◽  
Complete Set ◽  
Electronic Ground

The pure rotational lines and the Q branch lines of the 1–0 vibrational bands of H2, HD, and D2 have been photographed with a 21 ft. grating spectrograph. From these spectra, a complete set of constants for the ν = 0 and 1 levels of all three molecules have been determined. When these constants are combined with Herzberg's results of the forbidden infrared spectra of H2 and HD they lead to improved values of the electronic ground state constants of H2 and HD. The leading terms in the Dunham power series expansion of the potential are calculated for H2 and HD and are found to be mutually consistent. The isotopic relations are obeyed within experimental accuracy, and the small constants De, Be, and He, are in agreement with values given by theoretical formulae.

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