Jump to ContentJump to Main Navigation
Molecules and Models$
Users without a subscription are not able to see the full content.

Arne Haaland

Print publication date: 2008

Print ISBN-13: 9780199235353

Published to Oxford Scholarship Online: May 2008

DOI: 10.1093/acprof:oso/9780199235353.001.0001

Subscriber Login

Forgotten your password?

Page of

PRINTED FROM OXFORD SCHOLARSHIP ONLINE (www.oxfordscholarship.com). (c) Copyright Oxford University Press, 2015. All Rights Reserved. Under the terms of the licence agreement, an individual user may print out a PDF of a single chapter of a monograph in OSO for personal use (for details see http://www.oxfordscholarship.com/page/privacy-policy).date: 01 December 2015

Lewis’ “cubical atom” model. Molecular orbital calculations on the one-electron molecule H 2 + and the two-electron molecule H2

(p.99) Chapter 7 Lewis’ “cubical atom” model. Molecular orbital calculations on the one-electron molecule
H 2 +
and the two-electron molecule H2
Molecules and Models

Arne Haaland

Oxford University Press

This chapter reviews G. N. Lewis' seminal paper of 1916 that introduced the concept of the electron-pair bond. The potential energy curves for the two lowest electronic states of the hydrogen molecule ion (H2 +) are described. The molecular orbital (MO) concept is introduced and a set of approximate molecular orbitals formed by linear combination of the 1s atomic orbitals of the two atoms (LCAO MOs). The potential energy curve for a neutral hydrogen molecule in its ground state calculated from a wavefunction consisting of the product of one LCAO MO for each electron is shown to be much higher than the experimental curve for all values of the internuclear distance R. The electron correlation energy is defined. The non-zero experimental dipole moment of hydrogen deuteride (HD) shows that the Born-Oppenheimer approximation is not completely valid.

Keywords:   electron-pair bond, hydrogen molecule ion, molecular orbital, LCAO MO, overlap integral, polarization function, hydrogen molecule, electron correlation energy, Born-Oppenheimer approximation

Oxford Scholarship Online requires a subscription or purchase to access the full text of books within the service. Public users can however freely search the site and view the abstracts and keywords for each book and chapter.

Please, subscribe or login to access full text content.

If you think you should have access to this title, please contact your librarian.

To troubleshoot, please check our FAQs , and if you can't find the answer there, please contact us .