FTIR Study of the v12 and the v12 + v14 — v14 Bands of 1,3,5-Triazine Near 740 cm-1

Abstract The infrared spectrum of the v12 fundamental and its accompanying hot band v12 + v14 - v14 of triazine has been measured by means of a Fourier transform spectrometer with a resolution of about 0.0023 cm-1 . A total of about 2779 rovibrational transitions has been assigned. The ground state constants have been considerably improved whilst the parameters for the excited states v12 = 1, v14 = 1 and v12 = v14 = 1 have been obtained for the first time. The standard deviations were 2.92 • 10-4 cm-1 for the ground state constants and 1.53 • 10-4 cm -1 for the excited state parameters of v12 showing the latter to be unperturbed. The upper state of the hot band v12 + v14 - v14 was found to be perturbed by an accidental resonance.

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Lambda doubling in the infrared spectrum of SH

Canadian Journal of Physics ◽

10.1139/p84-189 ◽

1984 ◽

Vol 62 (12) ◽

pp. 1420-1425 ◽

Cited By ~ 13

Author(s):

R. J. Winkel Jr. ◽

Sumner P. Davis

Keyword(s):

Fourier Transform ◽

Infrared Spectrum ◽

Ground State ◽

Solar Observatory ◽

Fourier Transform Spectrometer ◽

Multiplet Splitting ◽

National Solar Observatory ◽

Vibration Rotation ◽

The Fourier Transform ◽

First Time

The (1–0), (2–1), and (3–2) infrared vibration–rotation bands of the X2Π ground state of sulfur monohydride were observed in emission from a furnace. Multiplet splitting produces two subbands, each of which exhibits lambda splitting. The band heads were observed for the first time, 285 lines were measured, and a calculation of lambda-doubling parameters was made. The spectrum was recorded using the Fourier transform spectrometer at the National Solar Observatory (Kitt Peak).

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Study of Millimeter-Wave Rotational Spectra ofTrioxane in Ground, v(A), v1(E) = 1 and v2(E) = 1 States

E-Journal of Chemistry ◽

10.1155/2009/692791 ◽

2009 ◽

Vol 6 (s1) ◽

pp. S259-S279 ◽

Cited By ~ 1

Author(s):

Masoud Motamedi ◽

Najmehalsadat Khademi

Keyword(s):

Excited State ◽

Excited States ◽

Millimeter Wave ◽

Ground State ◽

Vibrational States ◽

Rotational Spectra ◽

First Time

The millimeter-wave rotational spectra of the ground and excited vibrational states v(A), v1(E) =1 and v2(E ) =1 of the oblate symmetric top molecule, (CH2O)3, have been analyzed again. The B0= 5273.25747MHz, DJ= 1.334547 kHz, DJk= -2.0206 kHz, HJ(-1.01 mHz), HJK(-3.80 mHz), and HKJ(4.1 mHz) have been determined for ground state. For non degenerate excited state, vA(1), the B = 5260.227723 MHz and DJand DJKwere determined 1.27171 kHz and -1.8789 kHz respectively. The 1=±1 series have been assigned in two different excited states v1(E) =1 and v2(E) =1.Most of the parameters were determined with higher accuracy compare with before. For the v2(E) =1 state the Cζ=-1940.54(11) MHz and qJ= 0.0753 (97) kHz were determined for the first time.

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The infrared spectrum of H2S from 1 to 5 μm

Canadian Journal of Physics ◽

10.1139/p94-130 ◽

1994 ◽

Vol 72 (11-12) ◽

pp. 989-1000 ◽

Cited By ~ 56

Author(s):

Alexander D. Bykov ◽

Olga V. Naumenko ◽

Maxim A. Smirnov ◽

Leonid N. Sinitsa ◽

Linda R. Brown ◽

...

Keyword(s):

Fourier Transform ◽

Energy Spectrum ◽

Infrared Spectrum ◽

Energy Levels ◽

Local Mode ◽

Fourier Transform Spectrometer ◽

National Observatory ◽

The Fourier Transform ◽

High Degree ◽

First Time

The absorption spectra of H2S from 2000 to 11 147 cm−1 have been obtained with spectral resolutions of 0.006, 0.012, and 0.021 cm−1 using the Fourier transform spectrometer at Kitt Peak National Observatory. The transitions of 21 bands have been assigned for the first time and 9 others reanalyzed so that accurate energy levels, band origins, and rotational parameters could be determined. The analysis of these data revealed some remarkable features in the energy spectrum, e.g., fourfold clustering of rotational levels belonging to the symmetric and asymmetric components of local mode manifolds at a high degree of stretching excitation. This paper reports fitted vibrational parameters and predicted band origins of H232S up to 12 735 cm−1. It also presents the degenerate rotational constants and upper state energies of (301)–(202) and (311)–(212) at 1 μm as illustrations of clustering in the local mode limit.

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Excited-State Dynamics in the RNA Nucleotide Uridine 5’-Monophosphate Investigated by Femtosecond Broadband Transient Absorption Spectroscopy

10.26434/chemrxiv.7860023 ◽

2019 ◽

Author(s):

Matthew M. Brister ◽

Carlos Crespo-Hernández

Keyword(s):

Excited State ◽

Excited States ◽

Ground State ◽

Transient Absorption ◽

Electronic Energy ◽

Transient Absorption Spectroscopy ◽

Electronic Relaxation ◽

Vibrationally Excited ◽

Excited State Dynamics ◽

Π State

Damage to RNA from ultraviolet radiation induce chemical modifications to the nucleobases. Unraveling the excited states involved in these reactions is essential, but investigations aimed at understanding the electronic-energy relaxation pathways of the RNA nucleotide uridine 5’-monophosphate (UMP) have not received enough attention. In this Letter, the excited-state dynamics of UMP is investigated in aqueous solution. Excitation at 267 nm results in a trifurcation event that leads to the simultaneous population of the vibrationally-excited ground state, a longlived 1nOπ* state, and a receiver triplet state within 200 fs. The receiver state internally convert to the long-lived 3ππ* state in an ultrafast time scale. The results elucidate the electronic relaxation pathways and clarify earlier transient absorption experiments performed for uracil derivatives in solution. This mechanistic information is important because long-lived nπ* and ππ* excited states of both singlet and triplet multiplicities are thought to lead to the formation of harmful photoproducts.

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Ground state molecular parameters of phosphine, PH3, from the simultaneous analysis of the high-resolution infrared, microwave and submillimeterwave spectra

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19852480 ◽

1985 ◽

Vol 50 (11) ◽

pp. 2480-2492 ◽

Cited By ~ 12

Author(s):

Soňa Přádná ◽

Dušan Papoušek ◽

Jyrki Kauppinen ◽

Sergei P. Belov ◽

Andrei F. Krupnov ◽

...

Keyword(s):

Fourier Transform ◽

High Resolution ◽

Ground State ◽

Unitary Transformation ◽

Point Of View ◽

Acoustic Detection ◽

Molecular Parameters ◽

Microwave Spectrometer ◽

Fourier Transform Spectra ◽

First Time

Fourier transform spectra of the ν2 band of PH3 have been remeasured with 0.0045 cm-1 resolution. Ground state combination differences from these data have been fitted simultaneously with the microwave and submillimeterwave data to determine the ground state spectroscopical parameters of PH3 including the parameters of the Δk = ± 3n interactions. The correlation between the latter parameters has been discussed from the point of view of the existence of two equivalent effective rotational operators which are related by a unitary transformation. The ΔJ = 0, +1, ΔK = 0 (A1 ↔ A2, E ↔ E) rotational transitions in the ν2 and ν4 states have been measured for the first time by using a microwave spectrometer and a radiofrequency spectrometer with acoustic detection.

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Photophysics of a copper phenanthroline elucidated by trajectory and wavepacket-based quantum dynamics: a synergetic approach

Physical Chemistry Chemical Physics ◽

10.1039/c7cp00436b ◽

2017 ◽

Vol 19 (30) ◽

pp. 19590-19600 ◽

Cited By ~ 23

Author(s):

G. Capano ◽

T. J. Penfold ◽

M. Chergui ◽

I. Tavernelli

Keyword(s):

Molecular Dynamics ◽

Excited State ◽

Excited States ◽

Ground State ◽

Quantum Dynamics ◽

Equilibrium Processes ◽

Valuable Method ◽

Non Equilibrium

On-the-fly excited state molecular dynamics is a valuable method for studying non-equilibrium processes in excited states and is beginning to emerge as a mature approach much like its ground state counterparts.

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High-Resolution Infrared Spectroscopy of the v1+ v4Band of14NF3:Reductions of the Rovibrational Hamiltonian

E-Journal of Chemistry ◽

10.1155/2012/218684 ◽

2012 ◽

Vol 9 (1) ◽

pp. 253-259 ◽

Cited By ~ 7

Author(s):

Hamid Najib ◽

Siham Hmimou ◽

Hicham Msahal

Keyword(s):

Experimental Data ◽

Fourier Transform ◽

Infrared Spectroscopy ◽

Excited State ◽

High Resolution ◽

Infrared Spectrum ◽

Fourier Transform Infrared ◽

Sixth Order ◽

Degenerate State ◽

Unitary Equivalence

The high-resolution Fourier transform infrared spectrum of nitrogen trifluoride NF3has been studied in the v1+ v4perpendicular band region around 1523 cm−1. All experimental data have been refined applying various reduction forms of the effective rovibrational Hamiltonian developed for an isolated degenerate state of a symmetric top molecule. The v1= v4= 1 excited state of the14NF3oblate molecule was treated with models taking into account ℓ- andk-type intravibrational resonances. Parameters up to sixth order have been accurately determined and the unitary equivalence of the derived parameter sets in different reductions was demonstrated.

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Measurements of n?g Coincidences in the Reaction 10B (d, n?)11C

Australian Journal of Physics ◽

10.1071/ph600099 ◽

1960 ◽

Vol 13 (2) ◽

pp. 99 ◽

Cited By ~ 3

Author(s):

JA McDonell ◽

DG Sargood ◽

JR Moroney ◽

JR Prescott

Keyword(s):

Excited State ◽

Excited States ◽

Ground State ◽

State Transitions

The energies of some neutron groups leading to low excited states of "C in the reaction lOB(d,ny)"C have been measured. These lead to values of 4�3�0�3 MeV and 6�53 � O' 02 MeV for the energies of the second and fourth excited states respectively. y-Ray spectra have also been studied in coincidence with different neutron groups. Ground state transitions were observed from the second, third, and fourth excited states, together with cascade decays of the fourth excited state through each of the second and third. Deductions from these y-ray spectra considerably reduce the number of spin possibilities which have been found for these levels by other workers.

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J-Dependence of T2-Parameters for Rotational Transitions of SO2 and CH3OH in K-Band

Zeitschrift für Naturforschung A ◽

10.1515/zna-1985-0705 ◽

1985 ◽

Vol 40 (7) ◽

pp. 683-685 ◽

Cited By ~ 2

Author(s):

S. C. Mehrotra ◽

H. Dreizler ◽

H. Mäder

Keyword(s):

Fourier Transform ◽

Quantum Number ◽

Ground State ◽

Significant Variation ◽

Vibrational State ◽

Rotational Quantum Number ◽

Fourier Transform Spectrometer ◽

Ground Vibrational State ◽

Rotational Transitions ◽

Upper Level

With the help of a microwave Fourier transform spectrometer in the range from 18 GHz to 26 GHz, the coefficients ß for the linear pressure depedence of collisional dephasing rates 1/T2 have been determined by the transient emission technique for fourteen pure rotational transitions of SO2 with 5 ≦ J' ≦ 66 in the ground vibrational state, twelve transitions with 8 ≦ J' ≦ 62 in the first excited bending vibrational state, and twelve transitions of methanol with 2 ≦ J' ≦ 11, where J' is the rotational quantum number of the upper level of a transition. The T2-parameter ß for the transition J(K-, K+) - 49(4, 46 ) - 48(5, 43) of SO2 in the ground state shows an anomalous behaviour, whereas the values for all other transitions show a J-dependence in accordance with previous results. No significant variation of T2-parameters with J has been found for the rotational transitions of CH3OH.

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