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MLXZ Classification for Organometallics Christopher C. Cummins Massachusetts Institute of Technology [email protected] ccc MLXZ Classification

MLXZ Classification for Organometallicsweb.mit.edu/5.03/www/readings/cbc_method/cbc_method.pdfMLXZ Classi cation for Organometallics Christopher C. Cummins Massachusetts Institute

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Page 1: MLXZ Classification for Organometallicsweb.mit.edu/5.03/www/readings/cbc_method/cbc_method.pdfMLXZ Classi cation for Organometallics Christopher C. Cummins Massachusetts Institute

MLXZ Classification for Organometallics

Christopher C. Cummins

Massachusetts Institute of Technology

[email protected]

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Page 2: MLXZ Classification for Organometallicsweb.mit.edu/5.03/www/readings/cbc_method/cbc_method.pdfMLXZ Classi cation for Organometallics Christopher C. Cummins Massachusetts Institute

Outline

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Page 3: MLXZ Classification for Organometallicsweb.mit.edu/5.03/www/readings/cbc_method/cbc_method.pdfMLXZ Classi cation for Organometallics Christopher C. Cummins Massachusetts Institute

Visit the Web Page of Ged Parkin

Professor Ged Parkin of Columbia University Click here tovisit Ged’s web page

Key concept number 1: CBC or Covalent Bond Classificationmethod

Practice finding the [MLlXxZz ] classification for a metalcomplex

Some important definitions

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Page 4: MLXZ Classification for Organometallicsweb.mit.edu/5.03/www/readings/cbc_method/cbc_method.pdfMLXZ Classi cation for Organometallics Christopher C. Cummins Massachusetts Institute

Visit the Web Page of Ged Parkin

Professor Ged Parkin of Columbia University Click here tovisit Ged’s web page

Key concept number 1: CBC or Covalent Bond Classificationmethod

Practice finding the [MLlXxZz ] classification for a metalcomplex

Some important definitions

ccc MLXZ Classification

Page 5: MLXZ Classification for Organometallicsweb.mit.edu/5.03/www/readings/cbc_method/cbc_method.pdfMLXZ Classi cation for Organometallics Christopher C. Cummins Massachusetts Institute

Visit the Web Page of Ged Parkin

Professor Ged Parkin of Columbia University Click here tovisit Ged’s web page

Key concept number 1: CBC or Covalent Bond Classificationmethod

Practice finding the [MLlXxZz ] classification for a metalcomplex

Some important definitions

ccc MLXZ Classification

Page 6: MLXZ Classification for Organometallicsweb.mit.edu/5.03/www/readings/cbc_method/cbc_method.pdfMLXZ Classi cation for Organometallics Christopher C. Cummins Massachusetts Institute

Visit the Web Page of Ged Parkin

Professor Ged Parkin of Columbia University Click here tovisit Ged’s web page

Key concept number 1: CBC or Covalent Bond Classificationmethod

Practice finding the [MLlXxZz ] classification for a metalcomplex

Some important definitions

ccc MLXZ Classification

Page 7: MLXZ Classification for Organometallicsweb.mit.edu/5.03/www/readings/cbc_method/cbc_method.pdfMLXZ Classi cation for Organometallics Christopher C. Cummins Massachusetts Institute

Three Basic Types of Interaction2-, 1-, and 0-electron neutral ligands

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Page 8: MLXZ Classification for Organometallicsweb.mit.edu/5.03/www/readings/cbc_method/cbc_method.pdfMLXZ Classi cation for Organometallics Christopher C. Cummins Massachusetts Institute

Some Examples of Ligand ClassificationSome standard organometallic ligands

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Page 9: MLXZ Classification for Organometallicsweb.mit.edu/5.03/www/readings/cbc_method/cbc_method.pdfMLXZ Classi cation for Organometallics Christopher C. Cummins Massachusetts Institute

Further Examples of Ligand ClassificationSome standard organometallic ligands

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Page 10: MLXZ Classification for Organometallicsweb.mit.edu/5.03/www/readings/cbc_method/cbc_method.pdfMLXZ Classi cation for Organometallics Christopher C. Cummins Massachusetts Institute

Classifying Some Organometallic MoleculesLooking at the species as a whole

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Page 11: MLXZ Classification for Organometallicsweb.mit.edu/5.03/www/readings/cbc_method/cbc_method.pdfMLXZ Classi cation for Organometallics Christopher C. Cummins Massachusetts Institute

Classifying Some Organometallic MoleculesLooking at the species as a whole

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Page 12: MLXZ Classification for Organometallicsweb.mit.edu/5.03/www/readings/cbc_method/cbc_method.pdfMLXZ Classi cation for Organometallics Christopher C. Cummins Massachusetts Institute

Convert Charged Species to Corresponding Neutral ClassFor comparison purposes neutral classes are used

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Page 13: MLXZ Classification for Organometallicsweb.mit.edu/5.03/www/readings/cbc_method/cbc_method.pdfMLXZ Classi cation for Organometallics Christopher C. Cummins Massachusetts Institute

Important Definitions in the CBC Method

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Page 14: MLXZ Classification for Organometallicsweb.mit.edu/5.03/www/readings/cbc_method/cbc_method.pdfMLXZ Classi cation for Organometallics Christopher C. Cummins Massachusetts Institute

Example of an MLXZ Plot for Iron

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Page 15: MLXZ Classification for Organometallicsweb.mit.edu/5.03/www/readings/cbc_method/cbc_method.pdfMLXZ Classi cation for Organometallics Christopher C. Cummins Massachusetts Institute

Summary of Favored MLXZComparison across the transition series

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Page 16: MLXZ Classification for Organometallicsweb.mit.edu/5.03/www/readings/cbc_method/cbc_method.pdfMLXZ Classi cation for Organometallics Christopher C. Cummins Massachusetts Institute

Examination of TrendsThe 18 electron rule is more of a guideline

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Page 17: MLXZ Classification for Organometallicsweb.mit.edu/5.03/www/readings/cbc_method/cbc_method.pdfMLXZ Classi cation for Organometallics Christopher C. Cummins Massachusetts Institute

Trends in Valence and Ligand Bond NumberGroups 3-5

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Page 18: MLXZ Classification for Organometallicsweb.mit.edu/5.03/www/readings/cbc_method/cbc_method.pdfMLXZ Classi cation for Organometallics Christopher C. Cummins Massachusetts Institute

Trends in Valence and Ligand Bond NumberGroups 6-8

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Page 19: MLXZ Classification for Organometallicsweb.mit.edu/5.03/www/readings/cbc_method/cbc_method.pdfMLXZ Classi cation for Organometallics Christopher C. Cummins Massachusetts Institute

Trends in Valence and Ligand Bond NumberGroups 9-10

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Page 20: MLXZ Classification for Organometallicsweb.mit.edu/5.03/www/readings/cbc_method/cbc_method.pdfMLXZ Classi cation for Organometallics Christopher C. Cummins Massachusetts Institute

Visit the Web Page of Ged Parkin

This web link lets you evaluate trends for the various d-blockelements. Click here for mlxz plots

Plots of [MLlXxZz ]

Electron Counts

Valence distribution

Ligand Bond Number distribution

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Page 21: MLXZ Classification for Organometallicsweb.mit.edu/5.03/www/readings/cbc_method/cbc_method.pdfMLXZ Classi cation for Organometallics Christopher C. Cummins Massachusetts Institute

Visit the Web Page of Ged Parkin

This web link lets you evaluate trends for the various d-blockelements. Click here for mlxz plots

Plots of [MLlXxZz ]

Electron Counts

Valence distribution

Ligand Bond Number distribution

ccc MLXZ Classification

Page 22: MLXZ Classification for Organometallicsweb.mit.edu/5.03/www/readings/cbc_method/cbc_method.pdfMLXZ Classi cation for Organometallics Christopher C. Cummins Massachusetts Institute

Visit the Web Page of Ged Parkin

This web link lets you evaluate trends for the various d-blockelements. Click here for mlxz plots

Plots of [MLlXxZz ]

Electron Counts

Valence distribution

Ligand Bond Number distribution

ccc MLXZ Classification

Page 23: MLXZ Classification for Organometallicsweb.mit.edu/5.03/www/readings/cbc_method/cbc_method.pdfMLXZ Classi cation for Organometallics Christopher C. Cummins Massachusetts Institute

Visit the Web Page of Ged Parkin

This web link lets you evaluate trends for the various d-blockelements. Click here for mlxz plots

Plots of [MLlXxZz ]

Electron Counts

Valence distribution

Ligand Bond Number distribution

ccc MLXZ Classification

Page 24: MLXZ Classification for Organometallicsweb.mit.edu/5.03/www/readings/cbc_method/cbc_method.pdfMLXZ Classi cation for Organometallics Christopher C. Cummins Massachusetts Institute

Visit the Web Page of Ged Parkin

This web link lets you evaluate trends for the various d-blockelements. Click here for mlxz plots

Plots of [MLlXxZz ]

Electron Counts

Valence distribution

Ligand Bond Number distribution

ccc MLXZ Classification