Basics of Computational Chemistry

Submitted by Lori Watson / Earlham College on Sun, 03/08/2009 - 14:46
Description

I would use this VERY brief introduction to computational chemistry in my inorganic course to preface a computational based assignment.  While one learning goal for such an assignment might be familiarity with WebMO/Gaussian, understanding the background and theory of computational chemistry would generally be beyond the scope of the inorganic course.  However, I certainly want students to have some idea of what they are doing when they perform a calculation (optimization and frequency analysis of metal carbonyls, for example).  I've also included here handouts I use to explain how to use W

House: Inorganic Chemistry

Submitted by Adam Johnson / Harvey Mudd College on Mon, 01/12/2009 - 15:35
Description

House (Inorganic chemistry):  The book is divided into 5 parts:  first, an introductory section on atomic structure, symmetry, and bonding; second, ionic bonding and solids; third, acids, bases and nonaqueous solvents; fourth, descriptive chemistry; and fifth, coordination chemistry.  The first three sections are short, 2-4 chapters each, while the descriptive section (five chapters) and coordination chemistry section (seven chapters covering ligand field theory, spectroscopy, synthesis and reaction chemistry, organometallics, and bioinorganic chemistry.) are longer.  Each chapter includes

Find the Mistake!

Submitted by Patrick Holland / Yale University on Mon, 07/28/2008 - 10:09
Description

This Challenge trains student to find inconsistencies in a molecular-orbital diagram. Inorganic Challenges are exercises designed to be solved by a small group of students. Some Challenges practice a problem-solving algorithm, some reinforce important concepts, and some involve creativity or games. You can pick and choose Challenges from our Web site to increase active learning in your classroom, and we ask that you contribute creative Challenges of your own to give a head start to teachers at other colleges and universities!

Battle of the Theories: Valence-Bond vs. Molecular-Orbital

Submitted by Patrick Holland / Yale University on Mon, 07/28/2008 - 10:04
Description

This Challenge practices both VB and MO models, and can be used to show the superiority of MO models for explaining simple molecules like O2 and CH4. It also demonstrates how scientists make rational choices between theories. Inorganic Challenges are exercises designed to be solved by a small group of students. Some Challenges practice a problem-solving algorithm, some reinforce important concepts, and some involve creativity or games.

Point Group Symmetry Game

Submitted by Patrick Holland / Yale University on Mon, 07/28/2008 - 09:59
Description

This is a game that gets students interested in point group symmetry, and helps them to see the symmetry in everyday objects. It is a competition in which the groups try to bring in the hardest object to assign. Inorganic Challenges are exercises designed to be solved by a small group of students. Some Challenges practice a problem-solving algorithm, some reinforce important concepts, and some involve creativity or games.

Inorganic Challenge: Lewis structures and VSEPR

Submitted by Patrick Holland / Yale University on Mon, 07/28/2008 - 09:36
Description

This is an Inorganic Challenge that gives students an opportunity to practice the algorithm for difficult Lewis structures, and using good problem-solving technique. Inorganic Challenges are exercises designed to be solved by a small group of students. Some Challenges practice a problem-solving algorithm, some reinforce important concepts, and some involve creativity or games.

Fivefold Bonding in Cr(I) Dimer

Submitted by Maggie Geselbracht / Reed College on Thu, 04/17/2008 - 19:47
Description

This paper describes the synthesis and characterization of a Cr(I) dimer with a very short Cr-Cr distance.  Computational studies support fivefold bonding between the chromium atoms.  I have used this paper to introduce metal-metal multiple bonds and discuss the molecular orbital interactions of homonuclear diatomics including d-orbitals.  More generally, it is a nice example to stimulate the discussion of what constitutes a bond and the various interpretations of bond order.

Miessler and Tarr: Inorganic Chemistry, 3rd. Ed

Submitted by Nancy Williams / Scripps College, Pitzer College, Claremont McKenna College on Fri, 03/28/2008 - 16:44
Description

Miessler and Tarr is an inorganic textbook which is is best suited to an upper-division one-semester inorganic course, though there is more material than can be covered in a single semester, so some choice of topics is necessary.  It is very well suited for a course oriented around structure, bonding, and reaction chemistry of transition metal compounds, but is very limited in its treatment of solids, main-group, descriptive chemistry, and bioinorganic.  Pchem would be helpful but is not necessary.  In particular, the treatment of MO theory is very in-depth.  The quality of end-of chapter p

Housecroft and Sharpe: Inorganic Chemistry, 3ed

Submitted by Lori Watson / Earlham College on Wed, 03/26/2008 - 20:01
Description

Housecroft and Sharpe (Inorganic Chemistry, 3ed): This is a comprehensive inorganic textbook designed primarily for students at the Junior/Senior level. P-Chem would not be needed as a prerequisite for this text, but would be helpful. It includes both theoretical and descriptive material along with special topics, enough for a two semester course though it is easily adaptable to a one-semester "advanced inorganic" course by choosing only some topics. It is written in a clear and generally readable style and the full-color graphic contribute to student understanding.

Generating LGOs (SALCs)

Submitted by Adam Johnson / Harvey Mudd College on Fri, 01/04/2008 - 19:12
Description

    After several days of lecturing on the topic of polyatomic molecular orbital diagrams, students break into small groups of 3-4 and form LGO’s that can be used to interact with a central atom to form a Molecular Orbital (MO) diagram.  This assignment is part of a larger 4-5 week unit on MO theory. 

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