Ground state energy of excess electrons in n-hexane, 2,2,4-trimethylpentane, and tetramethylsilane

Journal Article · Sat Apr 15 04:00:00 EST 1978 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.436179· OSTI ID:7277560

Kimura, T; Fueki, K; Kevan, L

The ground state energies of excess electrons in n-hexane, 2,2,4-trimethylpentane, and tetramethylsilane at room temperature are calculated from a structured semicontinuum model and are found to agree well with recent experimental values. The calculations also account for localization and delocalization of electrons in these solvents.

• Research Organization: Department of Synthetic Chemistry, Nagoya University, Chikusa-ku, Nagoya, Japan
• OSTI ID: 7277560
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 68:8; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEAR CHEMISTRY
400600* -- Radiation Chemistry
ALKANES
CHEMISTRY
ELECTRONS
ELEMENTARY PARTICLES
ENERGY LEVELS
FERMIONS
GROUND STATES
HEXANE
HYDRIDES
HYDROCARBONS
HYDROGEN COMPOUNDS
LEPTONS
ORGANIC COMPOUNDS
RADIATION CHEMISTRY
SILANES
SILICON COMPOUNDS
SOLVATED ELECTRONS