Structures of 3-Heptyne (Ethyl Propyl Acetylene)

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Presentation transcript:

Structures of 3-Heptyne (Ethyl Propyl Acetylene) Geoffrey B. Churchill & Robert K. Bohn University of Connecticut June 20, 2006 3-heptyne title

Hyperconjugation in Ethane

Ethane/Butane Torsional Barrier

Butane Conformers butanes

Extending Butane to 3-Hexyne Extended butanes

3-Hexyne, C2v B = 1408 (MHz) A = 9411 3-hexyne C2v C = 1270

9 b-types, That’s all Folks! In 6-20 GHz

Pentane C1 10 a-, 5 b-, 8 c-types

Propyl Conformations Anti Gauche 3-heptyne, propyl G and A

4-Methyl-1-pentyne (C1) H to Pi interaction

Acetylene Dihedral Angle 3-heptyne acetylene dih. angles Propyl Anti Propyl Gauche

C1 assignment, 3-heptyne 24 b-/4 c-

C1 3-Heptyne Planar Moment Pcc = i mi ci2 3heptyne Pcc vs. torsion of ethyl & propyl groups

3-heptyne, Cs assignment 16 b-types

Acetylene Dihedral Angle 3-heptyne acetylene dih. angles Propyl Anti Propyl Gauche

Conclusion

Acknowledgments