virtual Chemistry 3D
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Molecular Structure
(22)
VSEPR
(8)
AX2
AX3
AX4
AX5
AX6
AXnEm types and pi systems: N
AXnEm types and pi systems: O
Tests
Conformations
(6)
Ethane
1,2-dichloroethane
Butane
Butadiene
Cyclohexane
Substituted Cyclohexane
Stereochemistry
(6)
Chirality
(4)
2-butanol
3-methylpentane
3-methylhexane
Thalidomide
R/S Nomenclature
Diastereisomers
Inorganic compounds
Playground
Electronic Structure
(14)
Atomic Orbitals
Hybrid Orbitals
d metal complexes: Crystal Field Theory
Molecular Orbitals
(10)
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
(8)
Symmetry Elements
(6)
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
(18)
IR/Raman: normal modes
(7)
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
(9)
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
(2)
1H NMR predictor
13C NMR predictor
Organic Chemistry Reactions
(3)
S
N
2
(1)
Simple Reaction
Cycloaddition
(1)
Hexadiene + Acrolein
Cheletropic Reaction
(1)
Butadiene + SO2
Solid State
(9)
Basic Systems
(3)
bcc
fcc
hcp
MX solids
(3)
sc:CsCl
fcc:NaCl
fcc:ZnS
Advanced Structures
(2)
Spinel (MgAl
2
O
4
)
Cobalt oxide (Co
3
O
4
)
Playground and (hkl) planes
Nanostructures
(5)
Nanotubes
(1)
CNTs
Metal Clusters
(1)
Au: Cl-protected
Metal NPs
(2)
hcp:Ru
fcc:Au
Nanocrystals
Macromolecules
2D Sketching
Thematic Index
Bibliography
Electronic Structure: MOs: H
2
O
Jmol._Canvas2D (Jmol) "Jmol1"
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LCAO Representation
"Density" Representation
Representation of MOs:
The molecular orbitals (
MOs
) of molecules are constructed by linear combination of atomic orbitals (LCAO).
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