Researcher ORCID Identifier


Graduation Year


Document Type

Campus Only Senior Thesis

Degree Name

Bachelor of Arts



Reader 1

Nancy Williams

Reader 2

Mary Van Vleet

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©2022 Sarah I Meadows


Computational studies of the two square planar, isomeric complexes, [(NCN)Pt(Me)ax(Ph)eq]+ and [(NCN)Pt(Ph)ax(Me)eq]+ have been carried out (NCN = 2,6-bis(diethylaminomethyl)phenyl, (R)ax = axial, (R)eq = equatorial). Experimentally, it has been shown that [(NCN)Pt(Me)ax(Ph)eq]+ affords the s-agostic complex [(NC(-Me)N)Pt(Ph)eq]+ in which the platinum forms a σ complex with the aryl-methyl bond. Computationally, this barrier is found to be far lower than the barrier to either toluene elimination (which requires energetically prohibitive phenyl rotation) or isomerization to [(NCN)Pt(Me)ax(Ph)eq]+. In contrast, the [(NCN)Pt(Me)ax(Ph)eq]+ shows high, similar barriers to toluene formation, aryl-phenyl coupling, and isomerization to [(NCN)Pt(Me)ax(Ph)eq]+. Experimentally, toluene formation is observed. Insights from our computations as to why the toluene pathway is the most favored will be discussed.

This thesis is restricted to the Claremont Colleges current faculty, students, and staff.