Table nbsp b CHELPG charges of PA xA xA C

Table 5b.
CHELPG charges BD 1008 [PA] + [C4DMIM][PF6] using B3LYP/6-31G*.S. NoAtomChargeS. NoAtomCharge1C0.00023826H0.1642272C0.04184927H0.1780583N− 0.4295528H0.1381954C0.57114329P1.4769185N− 0.4475930F− 0.386416C− 0.5752231F− 0.345977H0.21818532F− 0.378828H0.23701333F− 0.429519H0.17790134F− 0.3924510C− 0.3837435F− 0.3793411H0.16985736C− 0.0948912H0.24326837C& dominant inus; 0.0760913H0.22083438C− 0.1647214C− 0.1665639C0.43191215C− 0.2679140C0.35541916H0.16904241C− 0.1327517H0.20775242H0.17745918H0.19374143H0.18940619H0.24055844H0.19983920C− 0.2622945H0.16893521C− 0.4460346O− 0.1840122H0.14761147O− 0.5021323H0.15442148H0.39240724H0.14355449O− 0.3064425H0.12842350H0.43163751O− 0.81736Full-size tableTable optionsView in workspaceDownload as CSV