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

2009 ◽  
Vol 6 (s1) ◽  
pp. S259-S279 ◽  
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.

scholarly journals New Investigation of Millimeter-Wave Rotational Spectrum of CCl3CN in Ground, v7= 1 and v8= 1 States

2008 ◽  
Vol 5 (4) ◽  
pp. 946-962
Author(s):  
Masoud Motamedi ◽  
Tahere Zohrevand
Keyword(s):  
Millimeter Wave ◽  
Ground State ◽  
Rotational Spectrum ◽  
Vibrational States ◽  
Rotational Spectra

The millimeter-wave rotational spectra of the ground and excited vibrational states v7=1 and v8=1 of the symmetric top molecule, CCl3CN, have been analyzed again. The B0= 1666.80894(13) MHz, DJ= 0.135023 (23) kHz, DJK= 0.60596 (45) kHz, HJ= -0.0192 (10) mHz, HJK= 1.188 (34) mHz and HKJ= -1.60 (21) mHz have been determined for ground state. The 𝓁 = ±1 series have been assigned and the rotational parameters including B7=1667.96659(25) MHz, (q+t)7=1.58855(94) MHz for v7=1 and B8=1667.08204 (31) MHz, (q+t)8= 1.6141(36) MHz for v8= 1 states were determined accurately.

Centrifugal Distortion Parameters of Fulminic Acid, HCNO, from the Millimeter-Wave Rotational Spectra

1971 ◽  
Vol 26 (1) ◽  
pp. 128-131 ◽  
Author(s):  
Manfred Winnewisser ◽  
Brenda P. Winnewisser
Keyword(s):  
Millimeter Wave ◽  
Ground State ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Vibrational States ◽  
Molecular Constants ◽  
Rotational Spectra ◽  
First Excited State ◽  
Bending Modes ◽  
Distortion Parameters

Abstract A newly designed millimeter-wave spectrometer has been employed for precise measurements of the millimeter-wave rotational spectrum of HCNO. Absorptions in several excited vibrational states as well as the ground state could be measured. The present paper presents the observed frequen­ cies and molecular constants obtained for the ground state and the first excited state of v4 and of v5, the vibrational bending modes

scholarly journals The Microwave Spectrum of Fluoroacetylene in Ground and Vibrationally Excited States and Some Laser Enhancement Effects

1979 ◽  
Vol 34 (3) ◽  
pp. 340-352 ◽  
Author(s):  
Harold Jones ◽  
H. D. Rudolph
Keyword(s):  
Ground State ◽  
Microwave Spectrum ◽  
Vibrational States ◽  
Vibrationally Excited ◽  
Rotational Spectra ◽  
Wave Measurements ◽  
Anharmonicity Constant ◽  
Type V ◽  
First Time

Abstract The microwave spectrum of HCCF and DCCF has been investigated in all vibrational states with energy up to 1500 cm -1 . In the ground state and low-lying vibrational states mm-wave measurements up to 210 GHz were made. In some cases a detailed analysis of the vibrational state rotation spectrum including the effects of l-type resonance, and the determination of the anharmonicity constant gtt was possible. The rotational spectra of combination states of the type (vt = 2, vt′ = 1) were observed and partially analyzed, which is, to our knowledge, the first time this has been accomplished. The low-lying vibrational states of 13 C species of HCCF and DCCF were also observed. The 9.4 μm P(14) CO2-laser line was observed to produce a reduction in intensity in the ground state and an increase in intensity in the v3 = 1 excited state J = 0 → 1, 1 → 2, 2 3 transitions of DCCF.

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

1992 ◽  
Vol 47 (12) ◽  
pp. 1197-1203
Author(s):  
Wolfram Bodenmüller ◽  
Andreas Ruoff ◽  
Laurent Manceron
Keyword(s):  
Fourier Transform ◽  
Excited State ◽  
Infrared Spectrum ◽  
Excited States ◽  
Ground State ◽  
Fourier Transform Spectrometer ◽  
Ftir Study ◽  
Hot Band ◽  
Standard Deviations ◽  
First Time

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.

scholarly journals Study of Millimeter-Wave Rotational Spectra of Phosphorus Trifluoride in Ground,v2= 1 and v4= 1 States

2009 ◽  
Vol 6 (3) ◽  
pp. 849-865 ◽  
Author(s):  
Masoud Motamedi ◽  
Tahere Zohrevand
Keyword(s):  
Millimeter Wave ◽  
Ground State ◽  
Vibrational States ◽  
Rotational Spectra

The millimeter-wave rotational spectra of the ground and excited vibrational states v2=1 and v4=1 of the symmetric top molecule, PF3, have been analyzed again. The B0= 7819.9907(13) MHz, DJ= 7.84984(41) kHz, DJk= -11.7644 (11) kHz, HJ= 15.678 (36) mHz, HJk= -66.46 (12) mHz and HkJ= 87.42 (15) mHz have been determined for ground state. The 1=±1 series have been assigned and the rotational parameters including B4=7823.09212(41) MHz, (q+t)4= -29.49200(65) MHz, rt=2.9465 (13) MHz and (Cζ)4= -3010.94684(41) MHz for v4=1 state were determined accurately

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

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

<p></p><p> 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 <sup>1</sup>n<sub>O</sub>π* state, and a receiver triplet state within 200 fs. The receiver state internally convert to the long-lived <sup>3</sup>ππ* 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.</p><p></p>

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

2017 ◽  
Vol 19 (30) ◽  
pp. 19590-19600 ◽  
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.

Millimeter Wave Rotational Transitions of 16O12C32S and 16O13C32S

1974 ◽  
Vol 29 (8) ◽  
pp. 1213-1215 ◽  
Author(s):  
N. W. Larsen ◽  
B. P. Winnewisser
Keyword(s):  
Excited States ◽  
Millimeter Wave ◽  
Vibrational Spectra ◽  
Vibrational State ◽  
Vibrational States ◽  
Ground Vibrational State ◽  
Wave Region ◽  
Rotational Transitions ◽  
Good Agreement

Rotational transitions of 16012C32S and 16013C32S in the ground vibrational state and of 16012C32S in several excited states have been accurately measured in the millimeter wave region for a minimum of four different J values. The analysis of the measured frequencies leads to rotational constants for the following vibrational states: 0 00 0 of 16O13C32S and 0 00 0, 0 1 1c 0, 0 1 1d 0, 0 20 0, 0 22c 0, 0 22d 0, 0 00 1 of 16O12C32S. Since the two components of the 0 22 0 transitions were resolved, an analysis of the l-type resonance was carried out and the interval 0 22 0 - 0 20 0 has been determined to be -4.63(10) cm-1. The result is in good agreement with the presently available determination of this level from vibrational spectra.

scholarly journals Microwave Spectrum and Nuclear Quadrupole Interaction of 3-Bromothiophene in Excited Vibrational States

1983 ◽  
Vol 38 (12) ◽  
pp. 1309-1319 ◽  
Author(s):  
Yoshiaki Sasada
Keyword(s):  
Excited States ◽  
Nuclear Quadrupole Interaction ◽  
Coupling Constants ◽  
Vibrational Modes ◽  
Centrifugal Distortion ◽  
Vibrational States ◽  
Rotational Spectra ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole ◽  
Centrifugal Distortion Constants

Abstract The rotational spectra of 3-bromothiophene in the excited states of two vibrational modes were observed and the rotational constants, the centrifugal distortion constants, and the nuclear quadrupole coupling constants were determined. The wave numbers of the two vibrational modes were evaluated to be 210 cm-1 and 320 cm-1 by measuring relative intensities of the ground and excited vibrational transitions. Variations in the inertia defect for each of the vibrational modes are compared with the results of the approximate calculation.

scholarly journals Millimeter Wave Spectrum and Centrifugal Distortion Analysis of Difluorochloromethane CHF2Cl in the Ground State

1990 ◽  
Vol 45 (9-10) ◽  
pp. 1165-1168 ◽  
Author(s):  
R. Spiehl ◽  
A. Guarnieri
Keyword(s):  
Millimeter Wave ◽  
Ground State ◽  
Wave Spectrum ◽  
Sixth Order ◽  
Centrifugal Distortion ◽  
Rotational Spectra ◽  
Vibrational Ground State ◽  
Distortion Analysis

Abstract The rotational spectra of CHF235Cl and CHF237Cl (CFC22) in the vibrational ground state between 42 and 214 GHz are reported. A centrifugal distortion analysis up to the sixth order is carried out.

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