One of the greatest joys for a synthetic organometallic chemist is to see the molecule they spent weeks, months or years synthesizing rendered in 3D by way of the science (and magic!) of single crystal X-ray diffraction. Below are a handful of the Thompson Lab's favorite molecular curios captured by X-ray diffraction. The art & beauty of synthesis is on display with this growing collection.

Titanium borylimido
​(J. Am. Chem. Soc. 2014, 136, 8197-8200)
In an effort to synthesize the first terminal titanium nitride (Ti≡N), the parent imido (Ti=NH) was reacted with sodium triethylborohydride. What formed (cleanly!) instead was this rare instance of a borylimido (Ti=N=BEt2). The Ti=N bond was a suitable platform for other exotic substituents including dimethylaluminyl and diisopropylphosphino. 

The Tebbe Reagent
(Organometallics 2014, 33, 429-432)
The Tebbe Reagent is a famous titanium methylidene capable of carbonyl methylidenations too difficult for a Wittig reagent. Despite being reported in 1978 by Fred Tebbe at DuPont its crystal structure wasn't reported until nearly 40 years later. 

Molybdenum Metallatetrahedrane
(Organometallics 2019, 38, 4054-4059)
​While attempting to isolate a metallacyclobutadiene intermediate formed during catalytic alkyne metathesis reactions, this isomeric tetrahedrane arose. It's observation as an isolable but dynamic species warranted further investigation which led to a follow up paper (J. Am. Chem. Soc. 2021, 143, 9026-9039)! 

Hafnium Olefin Polymerization Catalyst
(Organometallics 2019, 38, 213-217)
The cyclopentadienyl-amidinate mixed ligand set was a workhorse for group IV catalyzed, α-olefin polymerization reactions. The lower activity of hafnium relative to zirconium, however, limited its practical utility. Substitution of the amidinate distal group from methyl to trifluoromethyl, a 6-8 fold increase in rate of polymerization occurred.

Nickel Parent Phosphinide
(J. Am. Chem. Soc. 2025, 147, 5350–5359.)
Photolysis of the phosphaethynolate precursor generated a highly reactive, metallophosphinidene diradical which reacted with two C-H bonds to make this parent phosphinide. This was the first instance of this kind of reactivity being reported with phosphorous!

THOMPSON LAB @ UNIVERSITY OF IDAHO
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