The Effect of Stereochemistry on Sodium Ion Complexation in Nucleoside-Metallacarborane Conjugates

Table 1

Calculated enthalpy of formation (Δ𝐻_𝑓) [kJ/mol] for complexing core of complexes of 1–6 with sodium cations (PM5 method), where 𝑋=3-cobalt bis(1, 2-dicarbollide).

Compound No	Complexing core	Na^+	𝐻𝑓[kJ/mol]	Δ𝐻𝑓 [kJ/mol]
1		complexed	−1406.99	−298.56
		uncomplexed	−1108.43
2		complexed	−1338.93	−254.42
		uncomplexed	−1084.51
3		complexed	−1346.90	−305.47
		uncomplexed	−1041.43
4		complexed	−1634.85	−335.12
		uncomplexed	−1299.73
5		complexed	−1566.73	−286.32
		uncomplexed	−1280.41
6		Complexed	−1502.10	−303.46
		uncomplexed	−1198.64