virtual Chemistry 3D
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Molecular Structure
VSEPR
AX2
AX3
AX4
AX5
AX6
AXnEm types and pi systems: N
AXnEm types and pi systems: O
Tests
Conformations
Ethane
1,2-dichloroethane
Butane
Butadiene
Cyclohexane
Substituted Cyclohexane
Stereochemistry
Chirality
2-butanol
3-methylpentane
3-methylhexane
Thalidomide
R/S Nomenclature
Diastereisomers
Inorganic compounds
Playground
Electronic Structure
Atomic Orbitals
Hybrid Orbitals
d metal complexes: Crystal Field Theory
Molecular Orbitals
F
2
CO
H
2
O
H
2
CO
C
4
H
6
C
6
H
6
M(σ donor-L)
6
M(π acceptor-L)
6
Mo-Fischer carbene complex
Porphyrins
MOs and Electrostatic Potential
Molecular Symmetry
Symmetry Elements
C
2
H
6
eclipsed
C
2
H
6
staggered
COT
Ru
4
H
4
(CO)
12
CH
4
Mo(CO)
6
Point Groups
Playground
Spectroscopy
IR/Raman: normal modes
H
2
O
CO
2
Methylene CH
2
R
2
Methyl CH
3
R
H
2
CO
Propanone
1,3,5-triazin
IR/Raman: analysis of exp. spectra
trans
-C
2
H
2
Cl
2
cis
-C
2
H
2
Cl
2
CCl
4
1-propanol
5-nonanone
n
-butylamine
Propanoic Acid
Benzaldehyde
Benzonitrile
NMR
1H NMR predictor
13C NMR predictor
Organic Chemistry Reactions
S
N
2
Simple Reaction
Cycloaddition
Hexadiene + Acrolein
Cheletropic Reaction
Butadiene + SO2
Solid State
Basic Systems
bcc
fcc
hcp
MX solids
sc:CsCl
fcc:NaCl
fcc:ZnS
Advanced Structures
Spinel (MgAl
2
O
4
)
Cobalt oxide (Co
3
O
4
)
Playground and (hkl) planes
Nanostructures
Nanotubes
CNTs
Metal Clusters
Au: Cl-protected
Metal NPs
hcp:Ru
fcc:Au
Nanocrystals
Macromolecules
2D Sketching
Thematic Index
Bibliography
Electronic Structure: MOs: F
2
LCAO Representation
"Density" Representation
The molecular orbitals (
MOs
) of molecules are constructed by linear combination of atomic orbitals (LCAO).
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