Related Experiment Video
Updated: Sep 19, 2025
09:56
Real-time Monitoring of Reactions Performed Using Continuous-flow Processing: The Preparation of 3-Acetylcoumarin as an Example
Published on: November 18, 2015
9.8K
ReSpecTh: Reaction kinetics, spectroscopy, and thermochemical datasets
Tamás Turányi1, István Gy Zsély2, Máté Papp2
1Institute of Chemistry, ELTE Eötvös Loránd University, H-1117, Budapest, Pázmány Péter sétány 1/A, Hungary. tamas.turanyi@ttk.elte.hu.
Scientific Data
|June 17, 2025
Summary
A new dataset, ReSpecTh, offers validated experimental and computed data for gas-phase reaction kinetics, molecular spectroscopy, and thermochemistry. This resource aids simulations in combustion, planetary atmospheres, and astrophysical environments.
Area of Science:
- Chemical Physics
- Astrophysics
- Planetary Science
Background:
- Accurate data for gas-phase reaction kinetics, molecular spectroscopy, and thermochemistry are crucial for various scientific and engineering applications.
- Existing datasets may be fragmented or lack comprehensive validation and machine-searchable formats.
Purpose of the Study:
- To present ReSpecTh, a novel, large-scale, machine-searchable database consolidating validated data for gas-phase reaction kinetics (Re), high-resolution molecular spectroscopy (Spec), and thermochemistry (Th).
- To provide a unified resource with experimental, empirical, and computed data, including metadata, for diverse research needs.
Main Methods:
- Compilation of extensive datasets covering gas-phase reaction kinetics, molecular spectroscopy, and thermochemistry.
- Validation of experimental, empirical, and computed data.
- Organization of data into a machine-searchable format with associated metadata.
Main Results:
- The ReSpecTh dataset provides a comprehensive collection of validated data points.
- The data is structured for easy retrieval and integration into computational models.
- Accompanying utility codes are available for data processing and application.
Conclusions:
- ReSpecTh serves as a valuable, integrated resource for researchers in chemical physics, atmospheric science, and astrophysics.
- The dataset facilitates advancements in simulating complex systems like combustion reactions and planetary/stellar environments.
- Availability of validated, machine-searchable data accelerates scientific discovery and engineering applications.
Related Concept Videos
03:09Measuring Reaction Rates
25.9K
Polarimetry finds application in chemical kinetics to measure the concentration and reaction kinetics of optically active substances during a chemical reaction. Optically active substances have the capability of rotating the plane of polarization of linearly polarized light passing through them—a feature called optical rotation. Optical activity is attributed to the molecular structure of substances. Normal monochromatic light is unpolarized and possesses oscillations of the electrical...
25.9K
02:24Predicting Reaction Outcomes
8.7K
Kinetics describes the rate and path by which a reaction occurs. In contrast, thermodynamics deals with state functions and describes the properties, behavior, and components of a system. It is not concerned with the path taken by the process and cannot address the rate at which a reaction occurs. Although it does provide information about what can happen during a reaction process, it does not describe the detailed steps of what appears on an atomic or a molecular level. On the other hand,...
8.7K
01:19Introduction to Enzyme Kinetics
20.9K
Enzyme kinetics studies the rates of biochemical reactions. Scientists monitor the reaction rates for a particular enzymatic reaction at various substrate concentrations. Additional trials with inhibitors or other molecules that affect the reaction rate may also be performed.
The experimenter can then plot the initial reaction rate or velocity (Vo) of a given trial against the substrate concentration ([S]) to obtain a graph of the reaction properties. For many enzymatic reactions involving a...
The experimenter can then plot the initial reaction rate or velocity (Vo) of a given trial against the substrate concentration ([S]) to obtain a graph of the reaction properties. For many enzymatic reactions involving a...
20.9K
02:34Arrhenius Plots
41.4K
The Arrhenius equation relates the activation energy and the rate constant, k, for chemical reactions. In the Arrhenius equation, k = Ae−Ea/RT, R is the ideal gas constant, which has a value of 8.314 J/mol·K, T is the temperature on the kelvin scale, Ea is the activation energy in J/mole, e is the constant 2.7183, and A is a constant called the frequency factor, which is related to the frequency of collisions and the orientation of the reacting molecules.
The Arrhenius equation can be used...
The Arrhenius equation can be used...
41.4K
02:14SN2 Reaction: Kinetics
8.8K
Kinetic Studies and Significance
In a chemical reaction, a relationship exists between the concentration of reactants and the rate at which the reaction proceeds. The study to measure this relationship is known as the kinetics of a chemical reaction. Kinetic studies are used to deduce the rate law of a chemical reaction, which provides information about the species involved during the transition state of the rate-determining step. Thus, kinetic studies help to derive the mechanism of a...
In a chemical reaction, a relationship exists between the concentration of reactants and the rate at which the reaction proceeds. The study to measure this relationship is known as the kinetics of a chemical reaction. Kinetic studies are used to deduce the rate law of a chemical reaction, which provides information about the species involved during the transition state of the rate-determining step. Thus, kinetic studies help to derive the mechanism of a...
8.8K
01:19Enzyme Kinetics
99.1K
Enzymes speed up reactions by lowering the activation energy of the reactants. The speed at which the enzyme turns reactants into products is called the rate of reaction. Several factors impact the rate of reaction, including the number of available reactants. Enzyme kinetics is the study of how an enzyme changes the rate of a reaction.
Scientists typically study enzyme kinetics with a fixed amount of enzyme in the controlled environment of a test tube. When more reactant, or substrate, is...
Scientists typically study enzyme kinetics with a fixed amount of enzyme in the controlled environment of a test tube. When more reactant, or substrate, is...
99.1K