On the selective deprotection of cyanoethyl-protected tetrathiafulvalene thiolates
Abstract
The selective deprotection protocol of cyanoethyl-protected tetrathiafulvalene thiolates is explained by DFT calculations on isomeric dithiolates; the minimum energy conformation of the 2,3-dithiolate (3) is non-planar and lies 34.6 kcal mol−1 higher in energy than that of the 2,6-dithiolate (trans-5).