Can a single molecule trap the electron?

Abstract

We suggest that it might be possible to trap the electron in a cavity of a macrocycle molecule, in the same way this trapping occurs cooperatively, by several solvent molecules, in hydroxylic liquids. Such an encapsulated electron is a 'molecular capacitor,' in which the excess electron is largely decoupled from valence electrons in the trap. A specific design for such a trap that is based on calix[4]cyclohexanol is discussed in detail. It is shown theoretically, by ab initio and density functional theory (DFT) modeling, that one of the conformations of this molecule forms the optimum tetrahedral trap for the electron. The resulting 'encapsulated electron' strikingly resembles the solvated electron in alcohols and water.

Effects of drying temperature and ethanol concentration on bipolar switching characteristics of natural Aloe vera-based memory devices

“…It has been reported that electrons in amorphous solids can be trapped in small interstitial spaces formed by a few polar molecules, and the state of the trapped electrons may be stabilized by both Coulomb attraction forces and Pauli exclusion repulsive forces exerted by the permanent dipoles of the molecules forming the interstitial space. 90,91 The proposed electron-trap center is illustrated in Fig. 17.…”

“…The potential energy of the trap center is dependent on the number of -OH groups forming the interstitial space. 90,91 The higher the number of -OH groups, the deeper the trap that can form in an interstitial space. 90,91 Based on the discussion and proposal outlined by TGA, when pure Aloe vera is heated above 50 1C, pectins may undergo de-esterification, while the deacetylation of acemannan is promptly initiated.…”

Excess electron is trapped in a large single molecular cage C60F60

“…An excess electron can be trapped in a small cavity (cage), formed by some surrounding polar solvent molecules in liquids and molecular clusters, to form solvated electrons,1–11 and if it is trapped at anion vacancy in solid salt, an electride is formed 12–14. The investigation of the solvated electron plays a prominent role in physics, chemistry, and biochemistry 15.…”

“…Stabilization of numerous bound electrons could provide new approaches to preparing conductive materials with unusual optical16(a) or magnetic properties 13. Therefore, the structure and stabilization for the excess electron is an important study field 6–11, 13, 14…”

“…For small cluster anions, different kinds of solvated electron systems, in which the excess electron is trapped in a small cavity formed by surrounding polar solvent molecules, have been included in a review article 5. The single molecular calix[4]cyclohexanol with a trapped electron was reported 11…”