A theoretical relation for the position of the energy barrier between initial and final states of chemical reactions

1978 ◽  
Vol 100 (7) ◽  
pp. 1984-1992 ◽  
Author(s):  
Arnold R. Miller
Keyword(s):  
Chemical Reactions ◽  
Energy Barrier ◽  
Final States ◽  
Theoretical Relation

scholarly journals Sunlight-Initiated Photochemistry: Excited Vibrational States of Atmospheric Chromophores

2008 ◽  
Vol 2008 ◽  
pp. 1-13 ◽  
Author(s):  
Veronica Vaida ◽  
Karl J. Feierabend ◽  
Nabilah Rontu ◽  
Kaito Takahashi
Keyword(s):  
Solar Radiation ◽  
Electronic State ◽  
Chemical Bond ◽  
Wavelength Range ◽  
Chemical Reactions ◽  
Energy Barrier ◽  
Bond Energies ◽  
Vibrational States ◽  
Vibrational Levels ◽  
Combination Bands

Atmospheric chemical reactions are often initiated by ultraviolet (UV) solar radiation since absorption in that wavelength range coincides to typical chemical bond energies. In this review, we present an alternative process by which chemical reactions occur with the excitation of vibrational levels in the ground electronic state by red solar photons. We focus on the O–H vibrational manifold which can be an atmospheric chromophore for driving vibrationally mediated overtone-induced chemical reactions. Experimental and theoretical O–H intensities of several carboxylic acids, alcohols, and peroxides are presented. The importance of combination bands in spectra at chemically relevant energies is examined in the context of atmospheric photochemistry. Candidate systems for overtone-initiated chemistry are provided, and their lowest energy barrier for reaction and the minimum quanta of O–H stretch required for reaction are calculated. We conclude with a discussion of the major pathways available for overtone-induced reactions in the atmosphere.

Topological Aspects of Chemical Reactivity. Electron Correlation in the Course of Chemical Reactions

1993 ◽  
Vol 58 (8) ◽  
pp. 1751-1760 ◽  
Author(s):  
Robert Ponec ◽  
Martin Strnad
Keyword(s):  
Chemical Reactions ◽  
Electron Correlation ◽  
Energy Barrier ◽  
Chemical Reactivity ◽  
Similarity Index ◽  
Pericyclic Reactions ◽  
Correlation Effects ◽  
Transient Species

The second order similarity index gRP, which has been proposed recently as a new means for a qualitative characterization of correlation effects in chemical reactivity, was generalized by incorporation into a topological model of the overlap determinant method. The resulting approach, which provides information about the variation of electron correlation during chemical reactions, was applied to the investigation of several selected pericyclic reactions. Consistent with what can be expected, the role of electron correlation was found to be the most critical for transition states of other transient species near the top of the energy barrier. The systematic differences in the extent of electron correlation between allowed and forbidden reactions are also discussed.

Origin of the Energy Barrier to Chemical Reactions ofO2on Al(111): Evidence for Charge Transfer, Not Spin Selection

2012 ◽  
Vol 109 (19) ◽  
Author(s):  
Florian Libisch ◽  
Chen Huang ◽  
Peilin Liao ◽  
Michele Pavone ◽  
Emily A. Carter
Keyword(s):  
Charge Transfer ◽  
Chemical Reactions ◽  
Energy Barrier

Surface reactions observed by photoemission electron microscopy (PEEM)

1992 ◽  
Vol 50 (1) ◽  
pp. 286-287
Author(s):  
H.H. Rotermund
Keyword(s):  
Electron Microscopy ◽  
Electron Microscope ◽  
Work Function ◽  
Chemical Reactions ◽  
Reaction Diffusion ◽  
Dynamic Processes ◽  
Clean Surface ◽  
Crystal Surfaces ◽  
Single Crystal Surfaces ◽  
Photoemission Electron

Chemical reactions at a surface will in most cases show a measurable influence on the work function of the clean surface. This change of the work function δφ can be used to image the local distributions of the investigated reaction,.if one of the reacting partners is adsorbed at the surface in form of islands of sufficient size (Δ>0.2μm). These can than be visualized via a photoemission electron microscope (PEEM). Changes of φ as low as 2 meV give already a change in the total intensity of a PEEM picture. To achieve reasonable contrast for an image several 10 meV of δφ are needed. Dynamic processes as surface diffusion of CO or O on single crystal surfaces as well as reaction / diffusion fronts have been observed in real time and space.

Microwaves: Application in Electron Microscopy

1990 ◽  
Vol 48 (3) ◽  
pp. 140-141
Author(s):  
Anthony S-Y Leong ◽  
David W Gove
Keyword(s):  
Electron Microscopy ◽  
Light Microscopy ◽  
Chemical Reactions ◽  
Electromagnetic Waves ◽  
Tissue Fixation ◽  
Primary Method ◽  
Dipolar Molecules ◽  
Wide Range ◽  
Time Required ◽  
Cryostat Sections

Microwaves (MW) are electromagnetic waves which are commonly generated at a frequency of 2.45 GHz. When dipolar molecules such as water, the polar side chains of proteins and other molecules with an uneven distribution of electrical charge are exposed to such non-ionizing radiation, they oscillate through 180° at a rate of 2,450 million cycles/s. This rapid kinetic movement results in accelerated chemical reactions and produces instantaneous heat. MWs have recently been applied to a wide range of procedures for light microscopy. MWs generated by domestic ovens have been used as a primary method of tissue fixation, it has been applied to the various stages of tissue processing as well as to a wide variety of staining procedures. This use of MWs has not only resulted in drastic reductions in the time required for tissue fixation, processing and staining, but have also produced better cytologic images in cryostat sections, and more importantly, have resulted in better preservation of cellular antigens.

Fine structure and properties of defects in naturally occurring silicates and oxides

1990 ◽  
Vol 48 (4) ◽  
pp. 460-461
Author(s):  
David R. Veblen
Keyword(s):  
Chemical Reactions ◽  
High Resolution Electron Microscopy ◽  
Extended Defects ◽  
Single Chain ◽  
Naturally Occurring ◽  
Resolution Electron ◽  
Fine Structures ◽  
Image Simulations ◽  
Similar Crystal Structure

Extended defects and interfaces control many processes in rock-forming minerals, from chemical reactions to rock deformation. In many cases, it is not the average structure of a defect or interface that is most important, but rather the structure of defect terminations or offsets in an interface. One of the major thrusts of high-resolution electron microscopy in the earth sciences has been to identify the role of defect fine structures in reactions and to determine the structures of such features. This paper will review studies using HREM and image simulations to determine the structures of defects in silicate and oxide minerals and present several examples of the role of defects in mineral chemical reactions. In some cases, the geological occurrence can be used to constrain the diffusional properties of defects.The simplest reactions in minerals involve exsolution (precipitation) of one mineral from another with a similar crystal structure, and pyroxenes (single-chain silicates) provide a good example. Although conventional TEM studies have led to a basic understanding of this sort of phase separation in pyroxenes via spinodal decomposition or nucleation and growth, HREM has provided a much more detailed appreciation of the processes involved.

Gum Arabic in Chemical Reactions

1883 ◽  
Vol 15 (366supp) ◽  
pp. 5844-5844
Author(s):  
MM. Jules Lefort ◽  
P. Thibault
Keyword(s):  
Chemical Reactions ◽  
Gum Arabic
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