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Chemical Reactivity, Catalysis, and Surface Processes

Manual: General · Subject: Molecular Science

Study how molecular structure, catalysts, and interfaces control reactivity in complex environments.

Catalysis in Molecular Context

Catalytic Cycles

Catalysts accelerate reactions by offering alternative pathways with lower barriers while being regenerated at the end of the cycle. Understanding catalytic turnover requires tracking intermediates, ligand exchange, redox events, and rate-limiting transformations.

Homogeneous and Heterogeneous Catalysis

Homogeneous catalysts act in the same phase as reactants and often provide fine electronic control, while heterogeneous catalysts operate at surfaces or interfaces and benefit from adsorption, cooperative sites, and transport effects.

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Interface Insight

At surfaces, adsorption energy, coverage, and site heterogeneity can be as important as intrinsic chemical barriers.

Catalysis Types

Homogeneous

  • Molecularly defined active sites
  • Excellent mechanistic tunability

Heterogeneous

  • Robust and scalable
  • Complex surface-site distributions

What is a defining feature of a catalyst?

Why are adsorption effects important in heterogeneous catalysis?

Reaction Networks and Selectivity

Modern catalytic analysis often treats reactions as networks rather than single-step transformations. Selectivity arises from branching ratios, intermediate lifetimes, transport limitations, and competing energetics across multiple pathways.

Catalyst Evaluation Checklist

  1. 1

    Identify active species and turnover protocol.

  2. 2

    Measure activity, selectivity, and stability under operating conditions.

  3. 3

    Probe intermediates with spectroscopy or kinetics.

  4. 4

    Compare proposed barriers and energetic span.

  5. 5

    Assess deactivation, poisoning, and regeneration pathways.