State‐to‐state photoionization of VO: Propensity for large, positive changes in rotational quantum number

1992 ◽  
Vol 97 (4) ◽  
pp. 2809-2812 ◽  
Author(s):  
Joel Harrington ◽  
James C. Weisshaar
Keyword(s):  
Quantum Number ◽  
Rotational Quantum Number

A quasi-classical trajectory study of the reagent initial rotation quantum state effect on the reaction He + T2+ → HeT+ + T using an improved ab initio potential energy surface

2012 ◽  
Vol 90 (2) ◽  
pp. 230-236 ◽  
Author(s):  
Ningjiu Zhao ◽  
Yufang Liu
Keyword(s):  
Angular Momentum ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Quantum Number ◽  
Relative Velocity ◽  
Energy Surface ◽  
Rotational Quantum Number ◽  
Chem Phys ◽  
Classical Trajectory ◽  
Positive Direction

In this work, we employed the quasi-classical trajectory (QCT) method to study the vector correlations and the influence of the reagent initial rotational quantum number j for the reaction He + T2+ (v = 0, j = 0–3) → HeT+ + T on a new potential energy surface (PES). The PES was improved by Aquilanti co-workers (Chem. Phys. Lett. 2009. 469: 26–30). The polarization-dependent differential cross sections (PDDCSs) and the distributions of P(θr), P([Formula: see text]r), and P(θr, [Formula: see text]r) are presented in this work. The plots of the PDDCSs provide us with abundant information about the distribution of the product angular momentum polarization. The P(θr) is used to describe the correlation between k (the relative velocity of the reagent) and j′ (the product rotational angular momentum). The distribution of dihedral angle P([Formula: see text]r) shows the k–k′–j′ (k′ refers to the relative velocity of the product) correlation. The PDDCS calculations illustrate that the product of this reaction is mainly backward scatter and it has the strongest polarization in the backward and sideways scattering directions. At the same time, the results of the P([Formula: see text]r) demonstrate that the product HeT+ tends to be oriented along the positive direction of the y axis and it tends to rotate right-handedly in planes parallel to the scattering plane. Moreover, the distribution of the P(θr) manifests that the product angular momentum is aligned along different directions relative to k. The direction of the product alignment may be perpendicular, opposite, or parallel to k. Moreover, our calculations are independent of the initial rotational quantum number.

Effects of collision energy and rotational quantum number on stereodynamics of the reactions: H( 2 S) + NH( υ = 0, j = 0, 2, 5, 10)→N( 4 S) + H 2

2016 ◽  
Vol 25 (8) ◽  
pp. 083402 ◽  
Author(s):  
Wei Wang ◽  
Yong-Jiang Yu ◽  
Gang Zhao ◽  
Chuan-Lu Yang
Keyword(s):  
Quantum Number ◽  
Collision Energy ◽  
Rotational Quantum Number

scholarly journals Measurements of The Spectroscopic Properties of Hydrogen Iodide Molecules

2008 ◽  
Vol 5 (3) ◽  
pp. 446-448
Author(s):  
Baghdad Science Journal
Keyword(s):  
Absorption Spectrum ◽  
Quantum Number ◽  
Rotational Quantum Number ◽  
Spectroscopic Properties ◽  
Hydrogen Iodide

A calculation have been carried out for determination some of the spectroscopic properties of Hydrogen Iodide HI molecules such as, the intensity of the absorption spectrum as a function of the variation of the temperature ranging from 10 to 1000 K. This study shows that the populations and hence intensity of the molecule increased as the temperature increased. Another determination of the maximum rotational quantum number Jmax of N2 , CO , BrF AgCl and HI molecules has been carried out.

scholarly journals Rotation Effect in Morse Potential For K2 Molecule

2011 ◽  
Vol 8 (4) ◽  
pp. 968-971
Author(s):  
Baghdad Science Journal
Keyword(s):  
Quantum Number ◽  
Dissociation Energy ◽  
Effective Potential ◽  
Morse Potential ◽  
Rotational Quantum Number ◽  
Electronic States ◽  
Rotation Effect ◽  
Potential Curves

The rotation effect upon Morse potential had been studied and the values of the effective potential in potential curves had been calculated for electronic states (X2?+g , B ?u ) K2 molecule. The calculation had been computed for rotational quantum number (J = 5). Also, drawing potential curves for these systems had been done using Herzberg and Gaydon equations. It was found that the values of the dissociation energy which resulting from using Herzberg equation greater than that of Gaydon equation. Besides, it was found that the rotation effect for (X and B) electronic states in Morse potential is very small and in this case may negligible.

Quantum interference in H + HD → H2 + D between direct abstraction and roaming insertion pathways

Science ◽  
2020 ◽  
Vol 368 (6492) ◽  
pp. 767-771 ◽  
Author(s):  
Yurun Xie ◽  
Hailin Zhao ◽  
Yufeng Wang ◽  
Yin Huang ◽  
Tao Wang ◽  
...  
Keyword(s):  
Quantum Number ◽  
Quantum Interference ◽  
Chemical Reactivity ◽  
Rotational Quantum Number ◽  
Interesting Case ◽  
Phase Effect ◽  
Chemical Reaction Dynamics ◽  
Bohm Effect ◽  
Aharonov Bohm ◽  
Direct Abstraction

Understanding quantum interferences is essential to the study of chemical reaction dynamics. Here, we provide an interesting case of quantum interference between two topologically distinct pathways in the H + HD → H2 + D reaction in the collision energy range between 1.94 and 2.21 eV, manifested as oscillations in the energy dependence of the differential cross section for the H2 (v′ = 2, j′ = 3) product (where v′ is the vibrational quantum number and j′ is the rotational quantum number) in the backward scattering direction. The notable oscillation patterns observed are attributed to the strong quantum interference between the direct abstraction pathway and an unusual roaming insertion pathway. More interestingly, the observed interference pattern also provides a sensitive probe of the geometric phase effect at an energy far below the conical intersection in this reaction, which resembles the Aharonov–Bohm effect in physics, clearly demonstrating the quantum nature of chemical reactivity.

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

1985 ◽  
Vol 40 (7) ◽  
pp. 683-685 ◽  
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.

scholarly journals Rotationally Resolved Rate Constant Measurements for Removal of CH(A2Δ and B2∑−) by Ketene

1994 ◽  
Vol 14 (4) ◽  
pp. 207-216 ◽  
Author(s):  
Jorge Luque ◽  
Javier Ruiz ◽  
Margarita Martin
Keyword(s):  
Quantum Number ◽  
Rate Constant ◽  
Cross Sections ◽  
Rate Constants ◽  
Rotational Quantum Number ◽  
Moderate Increase ◽  
Quantum Numbers ◽  
State Rate ◽  
Experimental Errors ◽  
Experimental Values

Rate constants for total removal of CH(A2Δ) and CH(B2∑−) in collisions with ketene were measured. For the A2Δ state, rate constants increased with vibrational quantum number; measured values were (4.5 ± 0.5) × 10-10 cm3 molec-1 s-1 and (8.0 ± 1) × 10-01 cm3 molec-1 s-1 for v′ = 0 and v′ = 2 respectively. For v′ = 0, rotational levels with quantum numbers from N′ = 4 to N′ = 16 were removed with similar rates within experimental errors; collisional disappearance of levels with higher rotational quantum numbers was faster for a factor of about 1.4. Calculations of cross sections for ketene and other fast colliders, assuming a multipole model, obtained a qualitative correlation with experimental values. CH(B2∑−) was more efficiently removed than CH(A2Δ, v′ = 0); for the lowest rotational levels a rate constant of (5.8 ± 0.3) × 10-10 cm3 molec-1 s-1 was measured and a moderate increase with rotational quantum number was observed.

Variations of Hydrogen Rotational Magnetic Moments with Rotational Quantum Number and with Isotopic Mass

1954 ◽  
Vol 94 (4) ◽  
pp. 893-902 ◽  
Author(s):  
R. G. Barnes ◽  
P. J. Bray ◽  
N. F. Ramsey
Keyword(s):  
Quantum Number ◽  
Magnetic Moments ◽  
Rotational Quantum Number

Experimental evidence for “cascading”; rapid vibrational relaxation with retention of rotational quantum number

1976 ◽  
Vol 16 (4) ◽  
pp. 411-418 ◽  
Author(s):  
M.A. Nazar ◽  
J.C. Polanyi ◽  
W.J. Skrlac ◽  
J.J. Sloan
Keyword(s):  
Experimental Evidence ◽  
Quantum Number ◽  
Vibrational Relaxation ◽  
Rotational Quantum Number
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