Hybrid sp3Orbitals

r2s[ theta_ , phi_ ] := 1.
r2px[ theta_ , phi_ ] := Sin[ theta ] Cos[ phi ] 
r2py[ theta_ , phi_ ] :=  Sin[ theta ] Sin[ phi ] 
r2pz[ theta_ , phi_ ] :=  Cos[ theta ] 


Linear combination of the 2s and 2p orbitals

[Graphics:Images/sp3.AO_gr_1.gif]
[Graphics:Images/sp3.AO_gr_2.gif]
[Graphics:Images/sp3.AO_gr_3.gif]
[Graphics:Images/sp3.AO_gr_4.gif]


Four sp3 Hybrid orbitals

Superposition of four s[Graphics:Images/sp3.AO_gr_5.gif] orbitals

figure1 =
ParametricPlot3D[ {
{(rsp3a[ theta, phi ]) Sin[ theta ] Cos[ phi ],
(rsp3a[ theta, phi ]) Sin[ theta ] Sin[ phi ],
(rsp3a[ theta, phi ]) Cos[ theta ]
},
{(rsp3b[ theta, phi ]) Sin[ theta ] Cos[ phi ],
(rsp3b[ theta, phi ]) Sin[ theta ] Sin[ phi ],
(rsp3b[ theta, phi ]) Cos[ theta ]
},
{(rsp3c[ theta, phi ]) Sin[ theta ] Cos[ phi ],
(rsp3c[ theta, phi ]) Sin[ theta ] Sin[ phi ],
(rsp3c[ theta, phi ]) Cos[ theta ]
},
{(rsp3d[ theta, phi ]) Sin[ theta ] Cos[ phi ],
(rsp3d[ theta, phi ]) Sin[ theta ] Sin[ phi ],
(rsp3d[ theta, phi ]) Cos[ theta ]}
},
{ theta, 0, Pi  }, { phi, 0, 2 Pi },
ViewPoint->{2.0, 4.0, 3.250}, Boxed -> False, AspectRatio -> Automatic, PlotPoints->50,PlotRange->{{-1.5,1.5},{-1.5,1.5},{-1.5,1.5}} ];

[Graphics:Images/sp3.AO_gr_6.gif]

Side view

Show[ figure1, ViewPoint->{1.620, -1.600, 2.070},PlotRange->{{-1.5,1.5},{-1.5,1.5},{-1.5,1.5}}]

[Graphics:Images/sp3.AO_gr_7.gif]

[Graphics:Images/sp3.AO_gr_8.gif]

Top view

Show[ figure1,ViewPoint->{1.620, -1.600, 15.000},PlotRange->{{-1.5,1.5},{-1.5,1.5},{-1.5,1.5}} ]

[Graphics:Images/sp3.AO_gr_9.gif]

[Graphics:Images/sp3.AO_gr_10.gif]

Single sp3 Orbital

[Graphics:Images/sp3.AO_gr_11.gif]
figure2 =
ParametricPlot3D[ {(rsp3a[ theta, phi ]) Sin[ theta ] Cos[ phi ],
                   (rsp3a[ theta, phi ]) Sin[ theta ] Sin[ phi ],
                   (rsp3a[ theta, phi ]) Cos[ theta]},
{theta, 0, Pi  }, { phi, 0, 2 Pi },ViewPoint->{-2.549, 2.218, 0.177},PlotRange->{{-.5,1.5},{-.5,1.5},{-.5,1.5}},
Boxed -> False,PlotPoints->50 ]

[Graphics:Images/sp3.AO_gr_12.gif]

[Graphics:Images/sp3.AO_gr_13.gif]
[Graphics:Images/sp3.AO_gr_14.gif]

[Graphics:Images/sp3.AO_gr_15.gif]

[Graphics:Images/sp3.AO_gr_16.gif]
[Graphics:Images/sp3.AO_gr_17.gif]
[Graphics:Images/sp3.AO_gr_18.gif]
[Graphics:Images/sp3.AO_gr_19.gif]
[Graphics:Images/sp3.AO_gr_20.gif]
[Graphics:Images/sp3.AO_gr_21.gif]
figure4 =
ParametricPlot3D[ {(nrsp3a[ theta, phi ]) Sin[ theta ] Cos[ phi ],
                   (nrsp3a[ theta, phi ]) Sin[ theta ] Sin[ phi ],
                   (nrsp3a[ theta, phi ]) Cos[ theta]},
{theta, 0, Pi  }, { phi, 0, 2 Pi },ViewPoint->{-2.549, 2.218, 0.177},PlotRange->{{-.25,.5},{-.25,.5},{-.25,.5}},
Boxed -> False,PlotPoints->50 ]

[Graphics:Images/sp3.AO_gr_22.gif]

[Graphics:Images/sp3.AO_gr_23.gif]
[Graphics:Images/sp3.AO_gr_24.gif]

[Graphics:Images/sp3.AO_gr_25.gif]

[Graphics:Images/sp3.AO_gr_26.gif]


Converted by Mathematica      November 5, 2002