Effect of C–O Bonding on the Stability and Energetics of High-Energy Nitrogen-Carbon Molecules N₁₀C₂ and N₁₆C₂

Table 4

Enthalpies of formation (in kcal/mol and kcal/g) for N₁₆C₂ and its O₃ and CO₃ adducts. Energies calculated with CCSD(T)/cc-pVDZ method.

		(kcal/mol)	(kcal/g)
N16C2; ( = 248 g/mole)	Isomer A	Not minimum	Not minimum
	Isomer B	+800.1	+3.23
	Isomer C	+763.6	+3.08
	Isomer D	+734.8	+2.96
N16C2O3; ( = 296 g/mole)	Isomer A	+740.9	+2.50
	Isomer B	+722.2	+2.44
	Isomer C	+709.7	+2.40
	Isomer D	+700.4	+2.37
N16C2CO3; ( = 308 g/mole)	Isomer A	+619.9	+2.01
	Isomer B	+597.3	+1.94
	Isomer C	+587.7	+1.91
	Isomer D	+576.7	+1.87