Initial attempts to characterise it by proton Nuclear Magnetic Resonance spectroscopy failed due to its instability in carbon tetrachloride at -10°C.

The quadruply degenerate Highest Occupied Molecular Orbital of dichlorotrimethyltantalum is calculated to be a Ta-Cl pi bond, alleviating some of this electron deficiency.

Drew reported in 1973 the addition of a bidentate 2,2'-bipyridine ligand to dichlorotrimethyltantalum, resulting in a seven-coordinate complex 2,2'-Bipyridyldichloro(trimethyl)-tantalum(V), whose geometry is described as a "distorted capped trigonal prism".

[3] Trimethylphosphine was introduced by vapour transfer to dichlorotrimethyltantalum frozen in a liquid nitrogen bath, resulting in the seven-coordinate bisphosphine complex.

[8] In an attempt to stabilise low-coordinate early transition metal complexes, Cummins designed a robust enolate ligand featuring flat aryl ring and adamantylidene cage subtitutents, subsequently ligating it to dichlorotrimethyltantalum via its potassium salt.