CHARGE-TRANSFER STATES IN A CHAIN MOLECULE WITH A DANGLING BOND

Charge transfer states are considered in chain molecules, such as thos e of selenium or tellurium, when the molecule has a dangling bond. A s imple model for these states, in which the dangling bond becomes negat ively charged and the hole is distributed among the lone pair states o f the atoms which constitute the chain molecule, is Solved. The result s should be useful in helping to unravel the structural, thermodynamic , and electronic properties of materials with such molecules.