Promoting and inhibiting tunneling via nuclear motions

2016 ◽  
Vol 18 (2) ◽  
pp. 1092-1104 ◽  
Author(s):  
Attila G. Császár ◽  
Tibor Furtenbacher
Keyword(s):  
Energy Level ◽  
Vibrational Energy ◽  
Energy Levels ◽  
Tunneling Splittings ◽  
Vibrational Energy Levels

Accurate, experimental rotational–vibrational energy levels determined via the MARVEL algorithm and published recently for the 14NH3 molecule in J. Quant. Spectrosc. Radiat. Transfer, 2015, 116, 117–130 are analyzed to unravel the promoting and inhibiting effects of vibrations and rotations on the tunneling splittings of the corresponding symmetric (s) and antisymmetric (a) rovibrational energy level pairs.

Master Equation for the Dissociation of a Dilute Diatomic Gas. V. Effect of Energy-level Spacing

1971 ◽  
Vol 49 (23) ◽  
pp. 3915-3917 ◽  
Author(s):  
D. L. S. Mcelwain ◽  
H. O. Pritchard
Keyword(s):  
Energy Level ◽  
Master Equation ◽  
Temperature Coefficient ◽  
Numerical Experiments ◽  
Vibrational Energy ◽  
Transition Probabilities ◽  
Energy Levels ◽  
Level Spacing ◽  
Vibrational Energy Levels ◽  
Arrhenius Temperature

Our previous vibration–dissociation coupling calculations for H2 have been repeated for D2. Closer spacing of the vibrational energy levels in D2 leads to increased translation–vibration transition probabilities, and the effect of this is to increase the rate of recombination by the vibrational mechanism at all temperatures. These numerical experiments also clarify two other issues: (i) that the position of the bottleneck does not necessarily occur at that level above which direct collisional dissociation can take place rapidly, and (ii) that there is no simple correspondence between the position of the bottleneck and the Arrhenius temperature coefficient for dissociation.

scholarly journals Experimental energy levels of 12C14N through marvel analysis

2020 ◽  
Vol 499 (1) ◽  
pp. 25-39
Author(s):  
Anna-Maree Syme ◽  
Laura K McKemmish
Keyword(s):  
Experimental Data ◽  
Partition Function ◽  
Energy Level ◽  
Vibrational Energy ◽  
Energy Levels ◽  
Line List ◽  
Level Data ◽  
Vibrational Energy Levels ◽  
Cyano Radical ◽  
Current Energy

ABSTRACT The cyano radical (CN) is a key molecule across many different factions of astronomy and chemistry. Accurate, empirical rovibronic energy levels with uncertainties are determined for eight doublet states of CN using the marvel (Measured Active Rotational-Vibrational Energy Levels) algorithm. 40 333 transitions were validated from 22 different published sources to generate 8083 spin-rovibronic energy levels. The empirical energy levels obtained from the marvel analysis are compared to current energy levels from the mollist line list. The mollist transition frequencies are updated with marvel energy level data which brings the frequencies obtained through experimental data up to 77.3 per cent from the original 11.3 per cent, with 92.6 per cent of the transitions with intensities over 10−23 cm molecule−1 at 1000 K now known from experimental data. At 2000 K, 100.0 per cent of the partition function is recovered using only marvel energy levels, while 98.2 per cent is still recovered at 5000 K.

scholarly journals Research progress in the effects of terahertz waves on biomacromolecules

2021 ◽  
Vol 8 (1) ◽  
Author(s):  
Liu Sun ◽  
Li Zhao ◽  
Rui-Yun Peng
Keyword(s):  
Vibrational Energy ◽  
Rapid Development ◽  
Energy Levels ◽  
Basic Research ◽  
Research Progress ◽  
Biological Macromolecules ◽  
Terahertz Waves ◽  
Terahertz Spectrum ◽  
Biomedical Field ◽  
Vibrational Energy Levels

AbstractWith the rapid development of terahertz technologies, basic research and applications of terahertz waves in biomedicine have attracted increasing attention. The rotation and vibrational energy levels of biomacromolecules fall in the energy range of terahertz waves; thus, terahertz waves might interact with biomacromolecules. Therefore, terahertz waves have been widely applied to explore features of the terahertz spectrum of biomacromolecules. However, the effects of terahertz waves on biomacromolecules are largely unexplored. Although some progress has been reported, there are still numerous technical barriers to clarifying the relation between terahertz waves and biomacromolecules and to realizing the accurate regulation of biological macromolecules by terahertz waves. Therefore, further investigations should be conducted in the future. In this paper, we reviewed terahertz waves and their biomedical research advantages, applications of terahertz waves on biomacromolecules and the effects of terahertz waves on biomacromolecules. These findings will provide novel ideas and methods for the research and application of terahertz waves in the biomedical field.

scholarly journals MARVEL: measured active rotational–vibrational energy levels

2007 ◽  
Vol 245 (2) ◽  
pp. 115-125 ◽  
Author(s):  
Tibor Furtenbacher ◽  
Attila G. Császár ◽  
Jonathan Tennyson
Keyword(s):  
Vibrational Energy ◽  
Energy Levels ◽  
Vibrational Energy Levels

scholarly journals Vibrational band-structures caused by internal rotations of the boron Wankel rotor B11−

RSC Advances ◽  
2021 ◽  
Vol 11 (6) ◽  
pp. 3613-3621
Author(s):  
Yonghong Xu ◽  
Huihui Wang ◽  
Yonggang Yang ◽  
Changyong Li ◽  
Liantuan Xiao ◽  
...  
Keyword(s):  
Vibrational Energy ◽  
Energy Levels ◽  
Vibrational Band ◽  
Spectral Broadening ◽  
Band Structures ◽  
Internal Rotations ◽  
Vibrational Energy Levels

The band structures of the vibrational energy levels of B11− lead to corresponding spectral broadening. The vibrational band-structures of planar boron rotors are caused by internal rotations.

VIBRATIONAL ENERGIES OF MEMBERS IN STRUCTURAL NETWORKS FITTED WITH TUNED VIBRATION ABSORBERS

2006 ◽  
Vol 06 (02) ◽  
pp. 269-284 ◽  
Author(s):  
SUNNY K. GEORGE ◽  
K. SHANKAR
Keyword(s):  
Energy Level ◽  
Vibrational Energy ◽  
General Structure ◽  
Energy Levels ◽  
Complex Structure ◽  
Input Power ◽  
Vibration Absorbers ◽  
Tuned Vibration Absorbers ◽  
Vibrational Energies ◽  
Structural Networks

The distribution of vibrational energy in members of a complex structure with tuned absorbers attached at the joints and subjected to dynamic loading is studied. The concept of power flows through the structure is used to determine the time-averaged energy levels of each member in the structure. The power flows are calculated using the time-averaged product of force and velocity at the input and coupling points (joints) of a general structure made of axially vibrating rods. The receptance approach is used to calculate the coupling forces and velocities in the structure. By balancing the input power against the dissipated powers, the time-averaged energy levels in members are determined. The main criteria studied here is the reduction in the frequency-averaged vibrational energy level of a member when an absorber is attached, expressed as a percentage compared to the case where there are no absorbers. The concept is first illustrated with a simple model of 2 axially vibrating rods with an absorber attached to the joint. Next, a more complex structure comprising 8 rods with arbitrary orientations and several absorbers attached to junctions is studied. The effect of activating absorbers at various locations on reducing the energy levels of certain members is examined. It is possible to estimate the usefulness of the absorber with respect to any member by determining the percentage reduction of energy level for that member.

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