Fig. 4: Structural and electronic properties of 3ˉ calculated at the M06-2X/def2-SVP level of theory. | Nature Communications

Fig. 4: Structural and electronic properties of 3ˉ calculated at the M06-2X/def2-SVP level of theory.

From: Carbene-supported triphosphorus anion

Fig. 4: Structural and electronic properties of 3ˉ calculated at the M06-2X/def2-SVP level of theory.

a Resonance structures of 3ˉ. b–d NLMOs representing in-plane lone pair electrons of P(1), P(2) and P(3). e–g NLMOs representing π electrons of P(1), P(2), and P(3). (isovalue = 0.03).

Back to article page