Cart
Lab-Expt
Integrating Molecular Modeling into the Inorganic Chemistry Laboratory
Hi-Res PDFPurchase the full-text
- PDF/HTML,
figures/images,
references and tables,
(where available)
Abstract
An exercise in molecular modeling is described for each of four common undergraduate lab experiments in inorganic chemistry. The molecular orbitals of BF3 and NMe3 are determined and examined as part of the experiment in which these two compounds combine to form an adduct. To accompany the preparation of linkage isomers, an exercise predicts the relative stability of the nitro isomer over the nitrito isomer and determines a possible transition state in the isomerization. The carbonyl stretching frequencies of [1,3,5-CH3(CH3)]Mo(CO)3 are calculated. Also the relative stabilities of eclipsed and staggered ferrocene derivatives are determined.
Keywords (Audience):
Second-Year UndergraduateKeywords (Domain):
Laboratory InstructionKeywords (Feature):
Molecular Modeling Exercises and ExperimentsKeywords (Pedagogy):
Computer-Based LearningKeywords (Subject):
Computational ChemistryCiting Articles
Citation data is made available by participants in CrossRef's Cited-by Linking service. For a more comprehensive list of citations to this article, users are encouraged to perform a search in SciFinder.
This article has been cited by 6 ACS Journal articles (5 most recent appear below).
Using Molecular Modeling in Teaching Group Theory Analysis of the Infrared Spectra of Organometallic Compounds
Lihua WangJournal of Chemical Education2012 Article ASAPUsing Molecular Modeling in Teaching Group Theory Analysis of the Infrared Spectra of Organometallic Compounds
Lihua WangJournal of Chemical Education2012 Article ASAPA new method is introduced for teaching group theory analysis of the infrared spectra of organometallic compounds using molecular modeling. The main focus of this method is to enhance student understanding of the symmetry properties of vibrational modes ...
Interaction of Simple Ions with Water: Theoretical Models for the Study of Ion Hydration
Oscar N. Ventura , Jorge S. Gancheff and Carlos KremerJournal of Chemical Education2009 86 (12), 1403Interaction of Simple Ions with Water: Theoretical Models for the Study of Ion Hydration
Oscar N. Ventura , Jorge S. Gancheff and Carlos KremerJournal of Chemical Education2009 86 (12), 1403A computational experiment aimed to create and systematically analyze models of simple cation hydrates is presented. The changes in the structure (bond distances and angles) and the electronic density distribution of the solvent and the thermodynamic ...
[Pi] π Backbonding in Carbonyl Complexes and Carbon–Oxygen Stretching Frequencies: A Molecular Modeling Exercise
Craig D. MontgomeryJournal of Chemical Education2007 84 (1), 102[Pi] π Backbonding in Carbonyl Complexes and Carbon–Oxygen Stretching Frequencies: A Molecular Modeling Exercise
Craig D. MontgomeryJournal of Chemical Education2007 84 (1), 102An exercise in molecular modeling, suitable for a third- or fourth-year course in organometallic or inorganic chemistry, is presented in which the effects of the metal center, the metal charge, and the electron-withdrawing properties of co-ligands upon ...
Structure and Bonding in Group 14 Congeners of Ethene: DFT Calculations in the Inorganic Chemistry Laboratory
Bennett R. Streit and David K. GeigerJournal of Chemical Education2005 82 (1), 111Structure and Bonding in Group 14 Congeners of Ethene: DFT Calculations in the Inorganic Chemistry Laboratory
Bennett R. Streit and David K. GeigerJournal of Chemical Education2005 82 (1), 111A computational chemistry experiment for an advanced inorganic chemistry laboratory is described. DFT calculations are performed to determine the optimized geometries of compounds of the type H2E=EH2. Structural parameters are compared for E=C, Si, and ...
A Computational-Modeling Course for Undergraduate Students in Chemical Technology
Rita K. HessleyJournal of Chemical Education2004 81 (8), 1140A Computational-Modeling Course for Undergraduate Students in Chemical Technology
Rita K. HessleyJournal of Chemical Education2004 81 (8), 1140To introduce computational chemistry into our five-year chemical technology curriculum, an elective course was designed and offered to students who had completed a full year of organic chemistry but who did not have extensive mathematical or physical ...
Full Text HTMLTools
-
Add to Favorites
-
Download Citation
-
Email a Colleague -
Permalink
Order Reprints
Rights & Permissions
Citation Alerts
History
- Received: August 03, 2009
ACS
Network
Facebook
Tweet This
CiteULike
Newsvine
Digg This
Delicious
