scholarly journals Effects of vibrational excitation on the F + H2O → HF + OH reaction: dissociative photodetachment of overtone-excited [F–H–OH]−

2017 ◽  
Vol 8 (11) ◽  
pp. 7821-7833 ◽  
Author(s):  
Amelia W. Ray ◽  
Jianyi Ma ◽  
Rico Otto ◽  
Jun Li ◽  
Hua Guo ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Vibrational Excitation ◽  
Reaction Coordinate ◽  
Vibrationally Excited ◽  
Dissociative Photodetachment

Photodetaching vibrationally excited FH2O− channels energy into the reaction coordinate of the F + H2O reaction, as shown in this joint experimental-theoretical study.

A theoretical study on the C + OH reaction dynamics and product energy disposal with vibrationally excited reagent

2018 ◽  
Vol 72 (12) ◽  
Author(s):  
Sugata Goswami ◽  
Jayakrushna Sahoo ◽  
Tammineni Rajagopala Rao ◽  
Béatrice Bussery-Honvault ◽  
Pascal Honvault ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Reaction Dynamics ◽  
Vibrationally Excited

A theoretical study of vibrational effects on strong field ionization of CS2

2018 ◽  
Vol 17 (08) ◽  
pp. 1850052
Author(s):  
Meixia Zhang ◽  
Guangwen Xu ◽  
Guoying Lu ◽  
Peng Song
Keyword(s):  
Theoretical Study ◽  
Strong Field ◽  
Orientation Angle ◽  
Field Ionization ◽  
Vibrationally Excited ◽  
Tunneling Ionization ◽  
Strong Field Ionization ◽  
Vibration Effect ◽  
Primary Contribution ◽  
Ionization Rates

Tunneling ionization of vibrationally excited CS2 molecules in their ground electronic state is calculated using molecular orbital Ammosov–Delone–Krainov theory (MO-ADK) considering bond length-dependence and bond angle-dependence. The tunneling ionization rates and the corresponding electron density are calculated respectively for different initial states. A relationship between laser intensity and the molecular orientation angle is determined and compared with experimental results, showing excellent agreement. Our calculations show that the primary contribution of vibration effect to CS2 in tunneling ionization is due to the symmetric expansion mode.

Theoretical study of resonant vibrational excitation ofCO2by electron impact

2002 ◽  
Vol 65 (3) ◽  
Author(s):  
T. N. Rescigno ◽  
W. A. Isaacs ◽  
A. E. Orel ◽  
H.-D. Meyer ◽  
C. W. McCurdy
Keyword(s):  
Electron Impact ◽  
Theoretical Study ◽  
Vibrational Excitation

scholarly journals Experimental and Theoretical Study of Multi-Quantum Vibrational Excitation: NO(v = 0→1,2,3) in Collisions with Au(111)

2013 ◽  
Vol 117 (32) ◽  
pp. 7091-7101 ◽  
Author(s):  
Kai Golibrzuch ◽  
Alexander Kandratsenka ◽  
Igor Rahinov ◽  
Russell Cooper ◽  
Daniel J. Auerbach ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Vibrational Excitation

Excitation of vibrational emission bands in aurora and airglow

1986 ◽  
Vol 64 (12) ◽  
pp. 1673-1678 ◽  
Author(s):  
B. F. Gordiets
Keyword(s):  
Electric Fields ◽  
Infrared Radiation ◽  
Theoretical Study ◽  
Vibrational Excitation ◽  
Rotational Bands ◽  
Infrared Emissions

The major results of the theoretical study of infrared radiation in the vibrational–rotational bands of minor molecular constituents in the terrestrial thermosphere are reviewed. Various mechanisms of vibrational excitation of radiating molecules are discussed for both quiet and disturbed conditions (e.g., aurorally enhanced electric fields, etc.). Intensities of infrared emissions and correlations between some of them and emissions in other spectral regions are analyzed, as well as the role that infrared radiation plays in the thermospheric energetics.

Motions and Reactions of Single Adsorbed Molecules Induced by Vibrational Excitation with STM

2003 ◽  
Vol 10 (05) ◽  
pp. 771-796 ◽  
Author(s):  
H. Ueba
Keyword(s):  
Metal Surfaces ◽  
Vibrational Mode ◽  
Vibrational Excitation ◽  
Reaction Coordinate ◽  
Experimental Result ◽  
Scanning Tunneling ◽  
Theoretical Understanding ◽  
Elementary Processes ◽  
Adsorbed Molecules ◽  
Anharmonic Coupling

Recent progress in the study of motions and reactions of single adsorbed molecules on metal surfaces induced by inelastic tunneling electrons with a scanning tunneling microscope (STM) is given an overview, with the focus on our current theoretical understanding of the elementary processes behind these phenomena. The selected topics include rotation and dissociation of O 2 on Pt (111), rotation of a C 2 H(D) 2 on Cu (100), lateral hopping of CO on Pd (110), lateral translation and desorption of NH 3 on Cu (100), and controlled manipulation of chemical transformation as well as bimolecular reaction of coadsorbed species on metal surfaces. Brief descriptions are presented of how an adsorbate to overcome the potential barrier for motion and reaction by incoherent stepwise and coherent single multistep climbing of the vibrational ladders in the potential well along the reaction coordinate, and indirect excitation of the reaction coordinate mode via anharmonic coupling to the vibrational mode excited by tunneling current. Elementary processes of the mode-selective control of different motions are also discussed in conjunction with a recent experimental result of lateral hopping and desorption of a single NH 3 molecule on Cu (100). Although still at a premature stage, these novel phenomena open a new world of "nano-surface-science," in which the manipulation and reaction of single adsorbates, and synthesis of a new molecular system are realized by a selective excitation of the relevant vibrational mode by tunneling electrons with an STM.

The reaction of cyanogen radicals with nitric oxide

1965 ◽  
Vol 283 (1394) ◽  
pp. 291-301 ◽  
Keyword(s):  
Nitric Oxide ◽  
Chemical Reaction ◽  
Vibrational Energy ◽  
Vibrational Excitation ◽  
Resonance Energy ◽  
Ultra Violet ◽  
Vibrationally Excited ◽  
Near Resonance ◽  
Continuous Absorption ◽  
Unstable Compound

Vibrational energy transfer and a chemical reaction between nitric oxide and the cyanogen radical have been studied by flash photolysing cyanogen and cyanogen bromide in the presence of nitric oxide. The product of the chemical reaction is, at least in part, the unstable compound nitrosyl cyanide NOCN and the rate constant is 2 x 10 12 ml. mole -1 s -1 or 1 x 10 17 ml. mole -2 s -1 with nitrogen as third body. The compound has a continuous absorption in the ultra-violet and yields vibrationally excited nitric oxide on photolysis. Vibrationally excited cyanogen radicals produced by means of electronic excitation of the radical produce vibrational excitation of the nitric oxide through near resonance energy exchange. Vibrational equilibrium is reached by nitric oxide through further resonance exchanges: CN + NO → NOCN, NOCN + hv → N O ( v > 0) + CN, NO ( v = 0) + CN ( v = n ) → NO ( v = 1) + CN ( v = n – 1 ) , NO ( v = 1) + CN ( v = m ) → NO ( v = 2) + CN ( v = m –1 ), 2NO { v = 1) ⇌ NO ( v = 2) + NO ( v = 0), NO ( v = 2) +NO ( v = 1) ⇌ NO ( v = 3) + NO { v = 0), etc.

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