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2004/09/27 | 价层电子对推斥理论[V-S-E-P-R Theory]
类别(℃〖化学〗)
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发表于 13:23
1. Find the central atom. Determine which orbitals are available for hybridization.
2. Count the valence electrons and add the electrons to account for the overall charge and the electrons donated by bonded atoms (one for each single bond, two for each double bond, etc).
3. Divide the result by 2 to get the total number of electron pairs. For unusual compounds in which have an odd number of total electrons, count the unpaired electron as an electron pair. Determine the number of lone pairs by
4. Minimize the electron pair-electron pair repulsion according to
This will mean that the linear geometry is favored for 5 pairs and 3 lone pairs, while the T-shaped is favored for 5 pairs and 2 lone pairs.
5. The arrangement is given by the total number of electron pairs, and the molecular geometry class by the number of lone pairs.
<TABLE CELLPADDING=3 BORDER="1"> <TR><TD ALIGN="LEFT">prs.</TD> <TD ALIGN="LEFT">arrangement</TD> <TD ALIGN="LEFT">lone pr.</TD> <TD ALIGN="LEFT">molecular geometry</TD> <TD ALIGN="LEFT">hybridization</TD> </TR> <TR><TD ALIGN="LEFT">2</TD> <TD ALIGN="LEFT">linear</TD> <TD ALIGN="LEFT">0</TD> <TD ALIGN="LEFT">linear</TD> <TD ALIGN="LEFT"><i>sp</i></TD> </TR> <TR><TD ALIGN="LEFT">3</TD> <TD ALIGN="LEFT">trigonal</TD> <TD ALIGN="LEFT">0</TD> <TD ALIGN="LEFT">trigonal planar <IMG WIDTH="27" HEIGHT="33" ALIGN="MIDDLE" BORDER="0" SRC="http://scienceworld.wolfram.com/chemistry/vimg14.gif"></TD> <TD ALIGN="LEFT"> </TD> </TR> <TR><TD ALIGN="LEFT"> </TD> <TD ALIGN="LEFT">planar</TD> <TD ALIGN="LEFT">1</TD> <TD ALIGN="LEFT">bent</TD> <TD ALIGN="LEFT"> </TD> </TR> <TR><TD ALIGN="LEFT">4</TD> <TD ALIGN="LEFT">tetrahedral</TD> <TD ALIGN="LEFT">0</TD> <TD ALIGN="LEFT">tetrahedral</TD> <TD ALIGN="LEFT"><IMG WIDTH="27" HEIGHT="33" ALIGN="MIDDLE" BORDER="0" SRC="http://scienceworld.wolfram.com/chemistry/vimg15.gif">, <IMG WIDTH="35" HEIGHT="29" ALIGN="MIDDLE" BORDER="0" SRC="http://scienceworld.wolfram.com/chemistry/vimg16.gif">, <IMG WIDTH="27" HEIGHT="29" ALIGN="MIDDLE" BORDER="0" SRC="http://scienceworld.wolfram.com/chemistry/vimg7.gif">, <IMG WIDTH="27" HEIGHT="29" ALIGN="MIDDLE" BORDER="0" SRC="http://scienceworld.wolfram.com/chemistry/vimg8.gif"></TD> </TR> <TR><TD ALIGN="LEFT"> </TD> <TD ALIGN="LEFT"> </TD> <TD ALIGN="LEFT">1</TD> <TD ALIGN="LEFT">trigonal pyramidal</TD> <TD ALIGN="LEFT"> </TD> </TR> <TR><TD ALIGN="LEFT"> </TD> <TD ALIGN="LEFT"> </TD> <TD ALIGN="LEFT">2</TD> <TD ALIGN="LEFT">bent</TD> <TD ALIGN="LEFT"> </TD> </TR> <TR><TD ALIGN="LEFT"> </TD> <TD ALIGN="LEFT"> </TD> <TD ALIGN="LEFT">3</TD> <TD ALIGN="LEFT">linear</TD> <TD ALIGN="LEFT"> </TD> </TR> <TR><TD ALIGN="LEFT">5</TD> <TD ALIGN="LEFT">trigonal</TD> <TD ALIGN="LEFT">0</TD> <TD ALIGN="LEFT">trigonal bipyramidal</TD> <TD ALIGN="LEFT"><IMG WIDTH="49" HEIGHT="33" ALIGN="MIDDLE" BORDER="0" SRC="http://scienceworld.wolfram.com/chemistry/vimg17.gif"></TD> </TR> <TR><TD ALIGN="LEFT"> </TD> <TD ALIGN="LEFT">bipyramidal</TD> <TD ALIGN="LEFT">1</TD> <TD ALIGN="LEFT">distorted pentahedral</TD> <TD ALIGN="LEFT"> </TD> </TR> <TR><TD ALIGN="LEFT"> </TD> <TD ALIGN="LEFT"> </TD> <TD ALIGN="LEFT">2</TD> <TD ALIGN="LEFT">T-shaped</TD> <TD ALIGN="LEFT"> </TD> </TR> <TR><TD ALIGN="LEFT"> </TD> <TD ALIGN="LEFT"> </TD> <TD ALIGN="LEFT">3</TD> <TD ALIGN="LEFT">linear</TD> <TD ALIGN="LEFT"> </TD> </TR> <TR><TD ALIGN="LEFT">6</TD> <TD ALIGN="LEFT">octahedral</TD> <TD ALIGN="LEFT">0</TD> <TD ALIGN="LEFT">octahedral</TD> <TD ALIGN="LEFT"> <IMG WIDTH="94" HEIGHT="33" ALIGN="MIDDLE" BORDER="0" SRC="http://scienceworld.wolfram.com/chemistry/vimg18.gif"></TD> </TR> <TR><TD ALIGN="LEFT"> </TD> <TD ALIGN="LEFT"> </TD> <TD ALIGN="LEFT">1</TD> <TD ALIGN="LEFT">square base pyramidal</TD> <TD ALIGN="LEFT"> <IMG WIDTH="72" HEIGHT="33" ALIGN="MIDDLE" BORDER="0" SRC="http://scienceworld.wolfram.com/chemistry/vimg19.gif"></TD> </TR> <TR><TD ALIGN="LEFT"> </TD> <TD ALIGN="LEFT"> </TD> <TD ALIGN="LEFT">2</TD> <TD ALIGN="LEFT">square planar</TD> <TD ALIGN="LEFT"> <IMG WIDTH="89" HEIGHT="29" ALIGN="MIDDLE" BORDER="0" SRC="http://scienceworld.wolfram.com/chemistry/vimg20.gif"></TD> </TR> <TR><TD ALIGN="LEFT">7</TD> <TD ALIGN="LEFT">pent. bipyramidal</TD> <TD ALIGN="LEFT">0</TD> <TD ALIGN="LEFT">pentagonal bipyramidal</TD> <TD ALIGN="LEFT"> </TD> </TR> </TABLE> <TABLE CELLPADDING=3 BORDER="1"> <TR><TD ALIGN="LEFT">species</TD> <TD ALIGN="RIGHT">central</TD> <TD ALIGN="RIGHT">bond</TD> <TD ALIGN="RIGHT">total</TD> <TD ALIGN="RIGHT">pairs</TD> <TD ALIGN="RIGHT">lone</TD> <TD ALIGN="LEFT">geometry</TD> </TR> <TR><TD ALIGN="LEFT">I<IMG WIDTH="15" HEIGHT="35" ALIGN="MIDDLE" BORDER="0" SRC="http://scienceworld.wolfram.com/chemistry/vimg21.gif"></TD> <TD ALIGN="RIGHT">7</TD> <TD ALIGN="RIGHT">2+1</TD> <TD ALIGN="RIGHT">10</TD> <TD ALIGN="RIGHT">5</TD> <TD ALIGN="RIGHT">3</TD> <TD ALIGN="LEFT">linear</TD> </TR> <TR><TD ALIGN="LEFT">ICl<font size="-1"><sub>3</sub></font></TD> <TD ALIGN="RIGHT">7</TD> <TD ALIGN="RIGHT">3</TD> <TD ALIGN="RIGHT">10</TD> <TD ALIGN="RIGHT">5</TD> <TD ALIGN="RIGHT">2</TD> <TD ALIGN="LEFT">T-shaped</TD> </TR> <TR><TD ALIGN="LEFT">IF<font size="-1"><sub>5</sub></font></TD> <TD ALIGN="RIGHT">7</TD> <TD ALIGN="RIGHT">5</TD> <TD ALIGN="RIGHT">12</TD> <TD ALIGN="RIGHT">6</TD> <TD ALIGN="RIGHT">2</TD> <TD ALIGN="LEFT">square planar</TD> </TR> <TR><TD ALIGN="LEFT">PCl<font size="-1"><sub>3</sub></font>F<font size="-1"><sub>2</sub></font></TD> <TD ALIGN="RIGHT">5</TD> <TD ALIGN="RIGHT">5</TD> <TD ALIGN="RIGHT">10</TD> <TD ALIGN="RIGHT">5</TD> <TD ALIGN="RIGHT">0</TD> <TD ALIGN="LEFT">trigonal bipyramidal</TD> </TR> <TR><TD ALIGN="LEFT">PF<font size="-1"><sub>3</sub></font></TD> <TD ALIGN="RIGHT">5</TD> <TD ALIGN="RIGHT">3</TD> <TD ALIGN="RIGHT">8</TD> <TD ALIGN="RIGHT">4</TD> <TD ALIGN="RIGHT">1</TD> <TD ALIGN="LEFT">trigonal pyramidal</TD> </TR> <TR><TD ALIGN="LEFT">SF<font size="-1"><sub>2</sub></font></TD> <TD ALIGN="RIGHT">6</TD> <TD ALIGN="RIGHT">2</TD> <TD ALIGN="RIGHT">8</TD> <TD ALIGN="RIGHT">4</TD> <TD ALIGN="RIGHT">2</TD> <TD ALIGN="LEFT">bent</TD> </TR> <TR><TD ALIGN="LEFT">SO<font size="-1"><sub>3</sub></font></TD> <TD ALIGN="RIGHT">6</TD> <TD ALIGN="RIGHT">3</TD> <TD ALIGN="RIGHT">9</TD> <TD ALIGN="RIGHT">5</TD> <TD ALIGN="RIGHT">2</TD> <TD ALIGN="LEFT">T-shaped</TD> </TR> <TR><TD ALIGN="LEFT">TeH<font size="-1"><sub>2</sub></font></TD> <TD ALIGN="RIGHT">6</TD> <TD ALIGN="RIGHT">2</TD> <TD ALIGN="RIGHT">8</TD> <TD ALIGN="RIGHT">4</TD> <TD ALIGN="RIGHT">2</TD> <TD ALIGN="LEFT">bent</TD> </TR> </TABLE>
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