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ISC Rate Constant Calculator

ISC Rate Constant Formula:

\[ K_i = R_{ISC} \times [M_{S1}] \]

mol/(m³·s)
mol/m³
Hz

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1. What is ISC Rate Constant?

Definition: The ISC (Intersystem Crossing) Rate Constant (Ki) quantifies the rate of transition from an excited singlet state to a triplet state.

Purpose: It helps in understanding and predicting photophysical processes in molecular systems, particularly in photochemistry and materials science.

2. How Does the Calculator Work?

The calculator uses the formula:

\[ K_i = R_{ISC} \times [M_{S1}] \]

Where:

Explanation: The rate constant is calculated by multiplying the rate of intersystem crossing by the concentration of molecules in the singlet excited state.

3. Importance of ISC Rate Constant

Details: Understanding ISC rates is crucial for designing materials for applications like organic light-emitting diodes (OLEDs), photodynamic therapy, and molecular sensors.

4. Using the Calculator

Tips: Enter the rate of intersystem crossing in mol/(m³·s) and singlet state concentration in mol/m³. All values must be > 0.

5. Frequently Asked Questions (FAQ)

Q1: What is intersystem crossing?
A: It's an isoenergetic radiationless process involving a transition between two electronic states with different spin multiplicity.

Q2: What are typical values for RISC?
A: Values vary widely but typically range from 103 to 109 mol/(m³·s) depending on the molecular system.

Q3: How is singlet state concentration determined?
A: It can be measured experimentally using spectroscopic techniques or calculated theoretically.

Q4: What factors affect the ISC rate constant?
A: Spin-orbit coupling, energy gap between states, molecular structure, and environmental factors.

Q5: Why is Ki important in OLED design?
A: It helps predict the efficiency of triplet formation, which is crucial for phosphorescent OLED materials.

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