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Controlling Thermal Stability and Volatility of Organogold(I) Compounds for Vapor Deposition with Complementary Ligand Design

preprint
revised on 05.05.2019 and posted on 06.05.2019 by Matthew Griffiths, Zachary Dubrawski, Goran Bačić, Jason Masuda, Achini Japahuge, Tao Zeng, Sean Barry
We compare and contrast the volatility and thermal stability of a family of twelve organometallic gold(I) compounds using a combination of X-ray crystallography, thermogravimetric analysis (TGA), and density functional theory (DFT) techniques. Pentafluorophenyl is used as a new ligand for vapor deposition which produces rather low volatility, but very thermally stable compounds when combined with PMe3 and N,N'-di-tert-butylimidazolidin-2-ylidene. We introduce a precursor figure of merit that can be used to rank precursor usefulness. Using DFT, we find a linear correlation between Au-L bond strength and thermal stability, which demonstrates the power of computational techniques to predict successful synthetic targets for future precursor design studies.

History

Email Address of Submitting Author

matt.griffiths@carleton.ca

Institution

Carleton University

Country

Canada

ORCID For Submitting Author

0000-0002-3187-4064

Declaration of Conflict of Interest

No conflict of interest

Version Notes

Version 2. May 05, 2019

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