Disturbance of Intermolecular Forces: Eutectics as a New Tool for the Preparation of Vapor-Phase Deposition Precursors

08 November 2022, Version 1
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

The volatile bis(tert-butylimido)-dichloromolybdenum(VI) compounds, (tBuN)2MoCl2·dad (dad = 1,4-di-tert-butyl-1,3-diazabutadiene) (1) and [(tBuN)2MoCl(μ-Cl)·(tBuNH2)]2 (2), form a eutectic, with a two to one composition (χ2 = 0.33). A decrease of 40 °C in the melting temperature has been observed between the eutectic mixture and the pure compounds. We have isolated a co-crystal of (tBuN)2MoCl2·dme (dme = 1,2-dimethoxyethane) (3) and 2, also in a two to one ratio, which serves as a structural model for such mixtures. The lower melting point of carefully chosen eutectic mixtures can offer more consistent precursor delivery in deposition processes.

Keywords

Eutectic
Thermal Analysis
Vapor Phase Deposition
Volatility
Melting Point
Molybdenum
Precursor Design
Dipole Interactions

Supplementary materials

Title
Description
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Title
Supplementary Material
Description
Experimental details, DSC curves, TGA plot, 1H NMR spectra, additional crystallographic details and images.
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Title
Atomic Coordinates
Description
Atomic coordinates for compounds 1, 2, and 3, optimized at the BP86/def2-SVP level of theory.
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