Table 1 31P NMR data of the Li/Cl phosphinidenoid complex 175, ligand-to-phosphinidene complex adducts 3, phosphaguanidine complexes 11 and the carbene-to-phosphinidene complex adduct 12 as well as calculated [GIAO/CPCMtoluene/PBE0/def2-TZVP(ecp)//COSMOtoluene/B3LYP-D3/def2-TZVP] 31P NMR chemical shifts of 3a–d

From: Challenging an old paradigm by demonstrating transition metal-like chemistry at a neutral nonmetal center

Complex

δ(31P) / ppm (exp.)

δ(31P) / ppm (calc.)

1JP,H / Hz

1JW,P / Hz

Solvent

175

253.5

76.3

CDCl3

3a[a]

284.6

278.4

<100[b]

THF

3b

234.8

253.4

102.5

THF-d8

3c

199.2

254.4

107.2

C6D6

3d

−50.567

−37.3[c]

117.5

CDCl3

11a

−27.2

−25.3

349.2

220.5

CDCl3

11b

−25.8

−22.3

346.9

230.9

C6D6

12

−33.8

103.8

THF

  1. [a] Data obtained from the reaction solution. [b] 183W satellites lie inside the broad signal. [c] Computed for the simplified model complex adduct derived from methylisocyanide (3d’).