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

Table 2

Enthalpies of formation (in kcal/mol and kcal/g) for N₁₀C₂ and its O₃ and CO₃ adducts. Energies calculated with CCSD(T)/cc-pVDZ method.

		(kcal/mol)	(kcal/g)
N10C2; ( = 164 g/mole)	Isomer A	Not minimum	Not minimum
	Isomer B	+528.3	+3.22
	Isomer C	+518.3	+3.16
N10C2O3; ( = 212 g/mole)	Isomer A	+458.9	+2.16
	Isomer B	+445.4	+2.10
	Isomer C	+449.6	+2.12
N10C2CO3; ( = 224 g/mole)	Isomer A	+338.2	+1.51
	Isomer B	+321.1	+1.43
	Isomer C	+327.0	+1.46