Review: Orbitals and Structure

The focus of CHY 421, Inorganic Chemistry, is to use molecular orbital theory to present the tenets of inorganic chemistry. The course will introduce symmetry analysis - in the form of group theory (Chapter 4) - and then use group theory to introduce molecular orbital theory (Chapter 5). With an understanding of molecular orbital theory, the course will explore acid-base chemistry (Chapter 6), some descriptive main group chemistry (Chapter 8), transition metal chemistry (Chapters 9-12), organometallic chemistry (Chapter 13), and catalysis (Chapter 14). (All chapter references refer to the course text, Inorganic Chemistry, 5th edition, by Messier, Fischer, and Tarr.)

Review Assignment 01: Atomic Structure

Chapter 2 of the text is a brief introduction to atomic structure. Most of the material presented in this chapter should be a review of general chemistry except for the in depth discussion of the Schrodinger equation as it pertains to atomic wave functions (sections 2.2.2) and Slater's rules for shielding (section 2.2.4). You can download a short powerpoint presentation of some of the major points here.

Powerpoint Messier Chapter 2 (ppt)

pdf version of Powerpoint (pdf)

Test your understanding:

Atomic Wave Functions Quiz - "Atomic_4s_5s_Co3"  (pdf)

Atomic Wave Functions Quiz Solutions - "Atomic_4s_5s_Co3_soln" (pdf)

Atomic Wave Functions Quiz - "Atomic_4dxz_5dxz_sulfide" (pdf)

Atomic Wave Functions Quiz Solutions - "Atomic_4dxz_5dxz_sulfide_soln" (pdf)

Worksheets:

• Periodic Trends (pdf) (solutions)

• Intermolecular Forces (pdf) (solutions)

• SlaterShielding and Effective Nuclear Charge (pdf) (solutions)

Review Assignment 02: Molecular Structure

Molecular structure as described by Lewis Electron Dot diagrams (section 3.1) and Valence Shell Electron Pair Repulsion Theory,VSEPR, (section 3.2) is the subject of chapter 3 of the text. This should be a review of some of the material from your first semester of general chemistry. Since the course material will focus on the explanation of properties of chemicals based on their structure, it is imperative that you are able to correctly predict the 3-dimensional structures of compounds.

Powerpoint Messier Chapter 3 (ppt)

pdf version of Powerpoint (pdf)

Test your understanding:

VSEPR Quiz - "VSEPR_SiH2Cl2_C6H6_HCN_SOCl2" (pdf)

VSEPR Quiz Solutions - "VSEPR_SiH2Cl2_C6H6_HCN_SOCl2_soln" (pdf)

VSEPR Quiz - "VSEPR_IF5_SeCl4_BF3_SnCl2_ICl3" (pdf)

VSEPR Quiz Solutions - "VSEPR_IF5_SeCl4_BF3_SnCl2_ICl3_soln" (pdf)

Worksheets:

• Lewis and VSEPR  (pdf) (solutions)

• Spartan Tutorial (pdf) (solutions)

Spartan files to accompany Spartan Worksheet: Hartree-Fock calculations employing 321G basis set.

• carbon dioxide (CO2)

• boron trifluoride (BF3)

• carbon tetrachloride (CCl4)

• phorphorous pentachloride (PCl5)

• sulfur hexafluoride (SF6), and sulfur hexafluoride employing DFT calculation (SF6/DFT)

• Computational Exercises 1 & 2: Methods (pdf) (solutions)

Spartan files to accompany Computational Excercises 1 & 2

• CE1 ethane (DFT) (HF/3-21G) (HF/6-31G*) (HF/6-311+G**) (MM/MMFF) (semi/PM3)

• CE1 fluoromethane (DFT) (HF/3-21G) (HF/6-31G*) (HF/6-311+G**) (MM/MMFF) (semi/PM3)

• CE1 fluorine (DFT) (HF/3-21G) (HF/6-31G*) (HF/6-311+G**) (MM/MMFF) (semi/PM3)

• CE2 ethane (DFT) (HF/6-311+G**) 

• CE2 ethylene (DFT) (HF/6-311+G**) 

• CE2 acetylene (DFT) (HF/6-311+G**) 

• CE1 Blank Excel Sheet (excel)