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