Is the p-chloroaniline anion bound almost entirely by correlation?

摘要: Negatively charged p-chloroaniline (PCA) was studied using ab initio coupled-cluster CCSD(T) method with the aug-cc-pVDZ+5s4p3d basis sets. It found that PCA forms a stable (although weakly bound) anionic state whose electron binding energy is 81 cm−1. The analysis of various contributions to electronic stability anion showed enormously large terms resulting from correlation effects. concluded negatively an bound almost entirely by because these effects are responsible for 96% total PCA−.