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Temperature Dependence on Reaction Rate02:55

Temperature Dependence on Reaction Rate

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The Collision Theory
Atoms, molecules, or ions must collide before they can react with each other. Atoms must be close together to form chemical bonds. This premise is the basis for a theory that explains many observations regarding chemical kinetics, including factors affecting reaction rates.
The collision theory is based on the postulates that (i) the reaction rate is proportional to the rate of reactant collisions, (ii) the reacting species collide in an orientation allowing contact between...
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Temperature Dependent Deformation01:12

Temperature Dependent Deformation

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In a nonhomogeneous rod made up of steel and brass, restrained at both ends and subjected to a temperature change, several steps are involved in calculating the stress and compressive load. Due to the problem's static indeterminacy, one end support is disconnected, allowing the rod to experience the temperature change freely. Next, an unknown force is applied at the free end, triggering deformations in the rod's steel and brass portions. These deformations are then calculated and added...
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Structure of Benzene: Kekulé Model01:07

Structure of Benzene: Kekulé Model

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In 1865, August Kekule suggested the structure of benzene according to the structural theory of organic chemistry based on the three assertions—formula of benzene is C6H6, all the hydrogens of benzene are equivalent, and each carbon must have four bonds due to its tetravalency.
He proposed that benzene has a cyclic structure of six carbon atoms attached to one hydrogen atom each, with three alternating pi bonds.
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Structure of Benzene: Molecular Orbital Model01:18

Structure of Benzene: Molecular Orbital Model

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According to the molecular orbital (MO) model, benzene has a planar structure with a regular hexagon of six sp2 hybridized carbons. As shown in Figure 1, each carbon is bonded to three other atoms with C–C–C and H–C–C bond angles of 120°. The C–H bond length is 109 pm, and the C–C bond length is 139 pm which is midway between the single bond length of sp3 hybridized carbons (154 pm) and sp2 hybridized carbons (133 pm).
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Effects of Temperature on Free Energy02:11

Effects of Temperature on Free Energy

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The spontaneity of a process depends upon the temperature of the system. Phase transitions, for example, will proceed spontaneously in one direction or the other depending upon the temperature of the substance in question. Likewise, some chemical reactions can also exhibit temperature-dependent spontaneities. To illustrate this concept, the equation relating free energy change to the enthalpy and entropy changes for the process is considered:
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Benzene to Phenol via Cumene: Hock Process01:27

Benzene to Phenol via Cumene: Hock Process

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The synthesis of phenol from benzene via cumene and cumene hydroperoxide is called the Hock process. First, a Friedel–Crafts alkylation reaction of benzene with propene gives cumene. Then cumene forms cumene hydroperoxide via a radical chain reaction. In the chain initiation step, the benzylic hydrogen is abstracted to give a benzylic radical. In the chain propagation step, the benzylic radical reacts with an oxygen diradical to form a cumene hydroperoxide radical. The cumene...
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Updated: Feb 5, 2026

Novel Techniques for Observing Structural Dynamics of Photoresponsive Liquid Crystals
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Temperature-Dependent Structural Changes in Liquid Benzene.

Masanari Nagasaka1,2, Hayato Yuzawa1, Kenji Mochizuki3

  • 1Institute for Molecular Science , Myodaiji, Okazaki 444-8585 , Japan.

The Journal of Physical Chemistry Letters
|September 21, 2018
PubMed
Summary

Researchers investigated liquid benzene's molecular arrangements using X-ray absorption spectroscopy. They discovered temperature-driven shifts in benzene's ordered structures, revealing changes in molecular orientations within the liquid state.

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Area of Science:

  • Physical Chemistry
  • Materials Science
  • Spectroscopy

Background:

  • Benzene, the simplest aromatic molecule, exhibits intermolecular π-π interactions.
  • Ordered liquid structures are crucial for understanding chemical and biological processes.
  • While benzene in nanopores is studied, its liquid-state ordered structures remain largely unknown.

Purpose of the Study:

  • To determine if ordered structures of benzene form in the liquid state.
  • To investigate the temperature-dependent changes in these ordered structures.
  • To probe the local molecular environment of liquid benzene.

Main Methods:

  • Carbon K-edge X-ray absorption spectroscopy (XAS) was employed as a sensitive local probe.
  • Temperature-dependent XAS spectra were analyzed, focusing on the π* peak behavior.
  • Molecular modeling and calculations were used for comparison and interpretation.
  • Infrared spectroscopy and vibrational mode calculations provided confirmatory evidence.

Main Results:

  • Unexpected temperature-dependent behaviors of the π* peak in XAS spectra were observed.
  • Analysis revealed a temperature-induced increase in parallel sandwich orientations relative to parallel displaced structures.
  • These findings indicate the formation and temperature-dependent evolution of ordered structures in liquid benzene.
  • Spectroscopic and computational data confirmed the observed structural changes.

Conclusions:

  • Ordered structures of benzene do form in the liquid state.
  • Temperature significantly influences the relative abundance of different molecular orientations (e.g., parallel sandwich vs. parallel displaced).
  • X-ray absorption spectroscopy is a powerful tool for probing local ordering in liquids.
  • The study provides fundamental insights into the liquid-state behavior of aromatic molecules.