Dipole Moment of Water in Highly Vibrationally Excited States: Analysis of Photofragment Quantum-Beat Spectroscopy Measurements Using a Local-Mode Hamiltonian†

2009 ◽  
Vol 113 (47) ◽  
pp. 13418-13427 ◽  
Author(s):  
Patrice Theule ◽  
John S. Muenter ◽  
Andrea Callegari
Keyword(s):  
Dipole Moment ◽  
Excited States ◽  
Quantum Beat ◽  
Local Mode ◽  
Vibrationally Excited

scholarly journals The Microwave Spectrum of 3,4-Dihydro-1,2-Pyran

1985 ◽  
Vol 40 (9) ◽  
pp. 913-919
Author(s):  
Juan Carlos López ◽  
José L. Alonso
Keyword(s):  
Dipole Moment ◽  
Excited States ◽  
Ground State ◽  
Principal Axis ◽  
Microwave Spectrum ◽  
Average Intensity ◽  
Ring Conformation ◽  
Vibrationally Excited ◽  
Rotational Constants ◽  
Displacement Measurements

Abstract The rotational transitions of 3,4-dihydro-1,2-pyran in the ground state and six vibrationally excited states have been assigned. The rotational constants for the ground state (A = 5198.1847(24), B = 4747.8716(24) and C = 2710.9161(24) have been derived by fitting μa, μb and μc-type transitions. The dipole moment was determined from Stark displacement measurements to be 1.400(8) D with its principal axis components |μa| =1.240(2), |μb| = 0.588(10) and |μc| = 0.278(8) D. A model calculation to reproduce the ground state rotational constants indicates that the data are consistent with a twisted ring conformation. The average intensity ratio gives vibrational separations between the ground and excited states of the ring-bending and ring-twisting modes of ~ 178 and ~ 277 cm-1 respectively.

scholarly journals A local mode picture for H atom reaction with vibrationally excited H2O: a full dimensional state-to-state quantum dynamics investigation

2016 ◽  
Vol 7 (1) ◽  
pp. 261-265 ◽  
Author(s):  
Shu Liu ◽  
Dong H. Zhang
Keyword(s):  
Excited States ◽  
Quantum Dynamics ◽  
Local Mode ◽  
Title Reaction ◽  
Vibrationally Excited ◽  
State Study

Here we report the first full-dimensional state-to-state study for the title reaction with H2O in the ground and the first symmetric and asymmetric stretching excited states..

Microwave Spectrum of 1-Butene Oxide

1978 ◽  
Vol 33 (11) ◽  
pp. 1312-1322
Author(s):  
S. O. Ljunggren ◽  
P. J. Mjöberg ◽  
J . E. Bäckvall
Keyword(s):  
Dipole Moment ◽  
Gas Phase ◽  
Internal Rotation ◽  
Barrier Height ◽  
Excited States ◽  
Ground State ◽  
Microwave Spectrum ◽  
Frequency Region ◽  
Centrifugal Distortion ◽  
Vibrationally Excited

The microwave spectrum of 1-butene oxide in the gas phase has been studied in the frequency region 18.0-39.0 GHz. The spectrum observed arose from a rotamer with a dihedral H-C2-C3-C4 angle of 59° ± 1°. In addition to several Q-branch progressions the spectrum contained several long perpendicular RP and PR progressions. However, of the ground state lines, only the intermediate PR transitions showed internal rotation splittings that could be resolved to yield a barrier height of 3.02 kcal mol-1. The value derived from the line splittings of the first excited methyl torsional state was slightly higher (3.17 kcal mol-1) but must be regarded as being less reliable. The components of the dipole moment, the rotational constants, and the quartic and sextic centrifugal distortion coefficients for the ground state and three vibrationally excited states were determined.

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>

LABORATORY CHARACTERIZATION AND ASTROPHYSICAL DETECTION OF VIBRATIONALLY EXCITED STATES OF ETHYL CYANIDE

2013 ◽  
Vol 768 (1) ◽  
pp. 81 ◽  
Author(s):  
A. M. Daly ◽  
C. Bermúdez ◽  
A. López ◽  
B. Tercero ◽  
J. C. Pearson ◽  
...  
Keyword(s):  
Excited States ◽  
Vibrationally Excited ◽  
Laboratory Characterization
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