scholarly journals THE ROTATIONAL ANALYSIS OF 2-CYANOPYRIMIDINE (C5H3N3) IN ITS GROUND VIBRATIONAL STATE AND THE DYAD OF ITS LOWEST-ENERGY VIBRATIONALLY EXCITED STATES, ν18 AND ν27

Author(s):  
Houston Smith ◽  
Robert McMahon ◽  
R. Woods ◽  
Brian Esselman
1974 ◽  
Vol 29 (8) ◽  
pp. 1213-1215 ◽  
Author(s):  
N. W. Larsen ◽  
B. P. Winnewisser

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.


1973 ◽  
Vol 51 (4) ◽  
pp. 529-532 ◽  
Author(s):  
R. Kewley

The microwave spectrum of cyclohexene sulfide (7-thiabicycIo[4,1,0]heptane) has been investigated in the 26.5–40 GHz region. R-branch lines due to both a- and c-type transitions have been assigned for the ground vibrational state and for the first excited states of the ring bending and ring twisting modes. From relative intensity measurements the frequencies of these two modes are estimated as: vbend = 115 ± 20 cm−1 and vtwist = 200 ± 60 cm−1. The rotational constants for the ground vibrational state are (in MHz): A = 3512.086 ± 0.010, B = 2057.969 ± 0.003, and C = 1623.023 ± 0.003. These values are consistent with a twisted half chair structure for the heavy atom skeleton of cyclohexene sulfide, similar to that of cyclohexene oxide.


1999 ◽  
Vol 193 (2) ◽  
pp. 249-259 ◽  
Author(s):  
O.N. Ulenikov ◽  
G.A. Onopenko ◽  
N.E. Tyabaeva ◽  
J. Schroderus ◽  
S. Alanko

2019 ◽  
Vol 489 (2) ◽  
pp. 1519-1532 ◽  
Author(s):  
N U Duronea ◽  
L Bronfman ◽  
E Mendoza ◽  
M Merello ◽  
R Finger ◽  
...  

ABSTRACT Using APEX-1 and APEX-2 observations, we have detected and studied the rotational lines of the HC3N molecule (cyanoacetylene) in the powerful outflow/hot molecular core G331.512−0.103. We identified 31 rotational lines at J levels between 24 and 39; 17 of them in the ground vibrational state v = 0 (9 lines corresponding to the main C isotopologue and 8 lines corresponding to the 13C isotopologues), and 14 in the lowest vibrationally excited state v7 = 1. Using local thermodynamic equilibrium (LTE)-based population diagrams for the beam-diluted v = 0 transitions, we determined Texc = 85 ± 4 K and N(HC3N) = (6.9 ± 0.8) × 1014 cm−2, while for the beam-diluted v7 = 1 transitions we obtained Texc = 89 ± 10 K and N(HC3N) = (2 ± 1) × 1015 cm−2. Non-LTE calculations using H2 collision rates indicate that the HC3N emission is in good agreement with LTE-based results. From the non-LTE method, we estimated Tkin ≃90 K, n(H2) ≃ 2 × 107 cm−3 for a central core of 6 arcsec in size. A vibrational temperature in the range from 130 to 145 K was also determined, values which are very likely lower limits. Our results suggest that rotational transitions are thermalized, while infrared radiative pumping processes are probably more efficient than collisions in exciting the molecule to the vibrationally excited state v7 = 1. Abundance ratios derived under LTE conditions for the 13C isotopologues suggest that the main formation pathway of HC3N is C2H2 + CN → HC3N + H.


2019 ◽  
Author(s):  
Matthew M. Brister ◽  
Carlos Crespo-Hernández

<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>


1985 ◽  
Vol 40 (9) ◽  
pp. 913-919
Author(s):  
Juan Carlos López ◽  
José L. Alonso

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.


2013 ◽  
Vol 768 (1) ◽  
pp. 81 ◽  
Author(s):  
A. M. Daly ◽  
C. Bermúdez ◽  
A. López ◽  
B. Tercero ◽  
J. C. Pearson ◽  
...  

Sign in / Sign up

Export Citation Format

Share Document