Table 2 Calculated interactions between pyrrole and co-vapors*

From: Role of Co-Vapors in Vapor Deposition Polymerization

Pyrrole/Co-vapor

3D graphic**

Energy (a.u.)

Dipole moment (D)

H-bonding

Pyrrole/Pyrrole

−418.0

3.25

None

Pyrrole/Methanol

−324.1

5.35

Possible

Pyrrole/Ethanol

−363.2

4.80

Possible

Pyrrole/Water

−285.0

5.09

Possible

Pyrrole/Hexane

−444.8

1.94

None

Pyrrole/Toluene

−479.1

2.44

None

Pyrrole/Benzene

−440.0

2.02

None

  1. *All calculations were carried out using the Gaussian 09 program suite.
  2. **The dotted line indicates hydrogen bond between the corresponding atoms.
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