Microscopic bond angles of thermally conductive silicone

Microscopic Chemical Bond Angles of Thermally Conductive Silicone

1. Chemical Backbone of Thermal Silicone

Thermally conductive silicone is based on polysiloxane (–Si–O–Si–).

  • Each Si atom alternates with O atoms, forming the “Si–O backbone.”
  • The Si atoms are typically bonded to methyl groups (–CH₃) or other functional groups.

Basic structure:

–Si(CH₃)₂–O–Si(CH₃)₂–O–

2. Bond Angles (Bond Foot) in Si–O–Si

In this structure:

  • Si atoms adopt sp³ hybridization → with an ideal 109.5° bond angle.
  • The Si–O–Si bond angle is highly flexible, ranging from 120° to 150°.
    • This “bendability” explains why silicone is soft, flexible, and resistant to breakage.

Analogy: The Si–O backbone behaves like a spring, because the bond angle can adjust freely.


3. Relationship Between Bond Angles and Thermal Conductivity

Why are bond angles relevant to thermal silicone?

  1. Backbone Flexibility (Variable Si–O–Si Angles)
    • Provides excellent thermal stability (the chain does not collapse at high temperature).
    • Allows thermal fillers (Al₂O₃, BN, AlN, graphite, etc.) to disperse evenly in the matrix.
  2. Strength of Si–O Bonds
    • Si–O bonds have high bond energy (~452 kJ/mol, stronger than C–C bonds).
    • This ensures long-term reliability of silicone under thermal conduction applications.
  3. Filler Interface Adaptability
    • The flexible silicone chain (due to variable bond angles) can wrap around filler particles.
    • This reduces interfacial voids → enhances thermal conductivity.

 

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