Fomine, S. Fomina, L. Ogawa, T.
Charge transfer complexes between 4, 4'-disubstituted diphenyldiacetylenes : experimental and theoretical study.
- 2001.
- Vol. 540, no. 1-3, pp. 123-130.
= Journal of Molecular Structure: Theochem
Charge exchange
Density functional theory
Ground states
Intermolecular mechanics
Organic compounds
Charge transfer complexes
4,4'-disubstituted diphenyldiacetylenes
Donor derivatives
Acceptor derivatives
Diphenyldiacetylene derivatives
B3LYP/6-31G(d)
B3LYP/6-31G(d) level of theory
Complex formation
Dipole-dipole interaction
Ground state
Structural factor
Time-dependent density functional theory
Strongly bent configuration
Solid-state topochemical polymerisation
Diacetylene molecules