ERIC Number: EJ1443407
Record Type: Journal
Publication Date: 2023-Apr
Pages: 11
Abstractor: As Provided
ISBN: N/A
ISSN: ISSN-0021-9584
EISSN: EISSN-1938-1328
Do-It-Yourself 5-Color 3D Printing of Molecular Orbitals and Electron Density Surfaces
Michelle Garcia; Frances A. O'Leary; Daniel J. O'Leary
Journal of Chemical Education, v100 n4 p1648-1658 2023
This report outlines an approach for preparing 5-color 3D printed plastic models of molecular orbitals and electron density surfaces using a hobby-grade 3D printer. Instructions are provided for preparing 3D orbital and electron density surface (EDS) models using solid or mesh representations in ground state and transition state structures. We show that the information content of 3D orbital and surface models can be enhanced with text annotation, bisection, strut and dashed bond placement, and composite orbital-EDS model constructions. Example prints illustrate orbital concepts in organic and inorganic chemistry, such as the ethyl cation ([sigma]-p hyperconjugation), methane (hybridization and C-H bonding), ethane ([sigma]-[sigma]* hyperconjugation in the staggered and eclipsed conformations), 2-hydroxytetrahydropyran (the anomeric effect/n-[sigma]* hyperconjugation), the water dimer (hydrogen bonding/n-[sigma]* overlap), ethylene, 1,3-butadiene, and benzene ([pi] molecular orbitals), Re[subscript 2]Cl[subscript 8][superscript 2-], and U[subscript 2](COT)[subscript 2] (metal-metal quadruple bonds). Transition state models illustrate orbital interactions in the S[subscript N]2 reaction of cyanide with methyl, ethyl, and isopropyl chloride and in a hydroboration reaction of BH[subscript 3] with propene. Composite EDS models of methyl and isopropyl chloride (for exploring their relative reactivities as S[subscript N]2 electrophiles) and methylcyclohexane (visualizing 1,3-diaxial interactions) are described. Student perceptions of a multicolor 3D orbital print used in an introductory organic chemistry laboratory course are reported.
Descriptors: Science Education, Hands on Science, Computer Peripherals, Printing, Molecular Structure, Plastics, Inorganic Chemistry, Organic Chemistry, Scientific Concepts, Introductory Courses, Laboratory Training
Division of Chemical Education, Inc. and ACS Publications Division of the American Chemical Society. 1155 Sixteenth Street NW, Washington, DC 20036. Tel: 800-227-5558; Tel: 202-872-4600; e-mail: eic@jce.acs.org; Web site: http://pubs.acs.org/jchemeduc
Publication Type: Journal Articles; Reports - Descriptive
Education Level: N/A
Audience: N/A
Language: English
Sponsor: N/A
Authoring Institution: N/A
Grant or Contract Numbers: N/A