Table 2 Calculated dipole moments (μ) and transmissions (T).

From: Tracking molecular resonance forms of donor–acceptor push–pull molecules by single-molecule conductance experiments

Molecule

Conjugation*

μ (D)

T Fermi

T rel

OPE3

Linear

 

0.031

4.1

OPE3 1

Linear

5.48

0.023

3.0

OPE3 1

Cross

7.11

  

OPE3 2

Linear

3.04

0.031

4.1

OPE3 2

Cross

5.23

  

OPE3 3

Linear

3.61

0.035

4.6

OPE3 4

Inherently cross

 

0.0075

1

OPE3 1·H+

Cross†

 

0.0083

1.1

  1. *The terms linear and cross do not mean that the structures correspond to the border-line resonance forms. Instead, cross means that the structure has more cross-conjugated character than does the linear structure.
  2. †Cross-conjugation is here not promoted by an applied electric field, but by protonation of the aldehyde oxygen.
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