Fig. 2: Plotting the bonding energy components versus each other reveals the nature of bonding. | Nature Communications

Fig. 2: Plotting the bonding energy components versus each other reveals the nature of bonding.

From: Collective interactions among organometallics are exotic bonds hidden on lab shelves

Fig. 2: Plotting the bonding energy components versus each other reveals the nature of bonding.The alternative text for this image may have been generated using AI.

Interatomic exchange-correlation energy, VXC(A, B), versus interatomic Coulomb energy, VC(A, B). (a) The full plot and (b) a part of the original plot focusing on organometallics. The two blue and red dashed lines mark boundaries with VXC(A, B) = −31 kcal.mol−1 (corresponding to the interatomic exchange-correlation energy component of KCl/LiF, the upper limit of VXC(A, B) for ionic interactions) and VXC(A, B) = ‒94.4 kcal.mol−1 that is the lower limit of VXC(A, B) for conventionally known covalent bonds (Se‒Se bond in H2Se2), respectively. See Supplementary Table 2 for numerical data and the text for details.

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