Abstract: Disclosed is a heteroatomic ligand-metal compound complex transition-state model which has been developed for activity, purity, and/or selectivity for selective ethylene oligomerizations, and density functional theory calculations for determining heteroatomic ligand-metal compound complex reactivity, product purity, and/or selectivity for ethylene trimerizations and/or tetramerizations. Using reaction ground states and transition states, and/or reaction ground states and transition states in combination with the energetic span model, this disclosure reveals that a chromium chromacycle mechanism, there are multiple ground states and multiple transition states, which can account for activity, purity, and/or selectivity for selective ethylene oligomerizations.

Abstract: The present disclosure relates to a catalyst system comprising i) (a) a bicyclic 2-[(phosphinyl)aminyl] cyclic imine chromium salt or (b) a chromium salt and a bicyclic 2-[(phosphinyl)aminyl] cyclic imine and ii) an organoaluminum compound. The present disclosure also relates to a process comprising: a) contacting i) ethylene; ii) a catalyst system comprising (a) a 2-[(phosphinyl)aminyl] cyclic imine chromium salt complex or (b) a chromium salt and a bicyclic 2-[(phosphinyl)aminyl] cyclic imine; ii) an organoaluminum compound, and iii) optionally an organic reaction medium; and b) forming an oligomer product in a reaction zone.

Abstract: The present disclosure relates to a catalyst system comprising i) (a) an N2-phosphinyl bicyclic amidine chromium salt or (b) a chromium salt and an N2-phosphinyl bicyclic amidine and ii) an organoaluminum compound. The present disclosure also relate to a process comprising: a) contacting i) ethylene; ii) a catalyst system comprising (a) an N2-phosphinyl bicyclic amidine chromium salt complex or (b) a chromium salt and an N2-phosphinyl bicyclic amidine; ii) an organoaluminum compound, and iii) optionally an organic reaction medium; and b) forming an oligomer product in a reaction zone.

Abstract: The present disclosure relates to a catalyst system comprising i) (a) an N2-phosphinyl bicyclic amidine chromium salt or (b) a chromium salt and an N2-phosphinyl bicyclic amidine and ii) an organoaluminum compound. The present disclosure also relate to a process comprising: a) contacting i) ethylene; ii) a catalyst system comprising (a) an N2-phosphinyl bicyclic amidine chromium salt complex or (b) a chromium salt and an N2-phosphinyl bicyclic amidine; ii) an organoaluminum compound, and iii) optionally an organic reaction medium; and b) forming an oligomer product in a reaction zone.

Abstract: The present disclosure relates to a catalyst system comprising i) (a) a bicyclic 2-[(phosphinyl)aminyl] cyclic imine chromium salt or (b) a chromium salt and a bicyclic 2-[(phosphinyl)aminyl] cyclic imine and ii) an organoaluminum compound. The present disclosure also relates to a process comprising: a) contacting i) ethylene; ii) a catalyst system comprising (a) a 2-[(phosphinyl)aminyl] cyclic imine chromium salt complex or (b) a chromium salt and a bicyclic 2-[(phosphinyl)aminyl] cyclic imine; ii) an organoaluminum compound, and iii) optionally an organic reaction medium; and b) forming an oligomer product in a reaction zone.

Abstract: The present disclosure relates to a catalyst system comprising i) (a) a bicyclic 2-[(phosphinyl)aminyl] cyclic imine chromium salt or (b) a chromium salt and a bicyclic 2-[(phosphinyl)aminyl] cyclic imine and ii) an organoaluminum compound. The present disclosure also relate to a process comprising: a) contacting i) ethylene; ii) a catalyst system comprising (a) a 2-[(phosphinyl)aminyl] cyclic imine chromium salt complex or (b) a chromium salt and a bicyclic 2-[(phosphinyl)aminyl] cyclic imine; ii) an organoaluminum compound, and iii) optionally an organic reaction medium; and b) forming an oligomer product in a reaction zone.

Abstract: The present disclosure relates to a catalyst system comprising i) (a) an N2-phosphinyl bicyclic amidine chromium salt or (b) a chromium salt and an N2-phosphinyl bicyclic amidine and ii) an organoaluminum compound. The present disclosure also relate to a process comprising: a) contacting i) ethylene; ii) a catalyst system comprising (a) an N2-phosphinyl bicyclic amidine chromium salt complex or (b) a chromium salt and an N2-phosphinyl bicyclic amidine; ii) an organoaluminum compound, and iii) optionally an organic reaction medium; and b) forming an oligomer product in a reaction zone.

Abstract: The present disclosure relates to a catalyst system comprising i) (a) a bicyclic 2-[(phosphinyl)aminyl] cyclic imine chromium salt or (b) a chromium salt and a bicyclic 2-[(phosphinyl)aminyl] cyclic imine and ii) an organoaluminum compound. The present disclosure also relate to a process comprising: a) contacting i) ethylene; ii) a catalyst system comprising (a) a 2-[(phosphinyl)aminyl] cyclic imine chromium salt complex or (b) a chromium salt and a bicyclic 2-[(phosphinyl)aminyl] cyclic imine; ii) an organoaluminum compound, and iii) optionally an organic reaction medium; and b) forming an oligomer product in a reaction zone.

Abstract: A composition comprising an N2-phosphinylamidine chromium salt complex having Structure FNPACr I: wherein CrXp is a chromium salt where X is a monoanion and p is an integer from 2 to 6. A process comprising a) contacting i) ethylene, and ii) a catalyst system comprising an N2-phosphinylamidine chromium salt complex having Structure FNPACr I: wherein CrXp is a chromium salt where X is a monoanion and p is an integer from 2 to 6; and b) forming an oligomer product in a reaction zone.

Abstract: A composition comprising a perfluoro-N2-phosphinylamidine chromium salt complex having Structure PFAHNPACr I: wherein Rf1 is a substituted phenyl group comprising alkyl groups at the 2 and 6 positions and at least one fluoro group or perfluoroalkyl group at the 3, 4, and/or 5 positions, R2 is a C1 to C30 organyl group, R4 and R5 are each independently a C1 to C30 organyl group, and CrXp is a chromium salt where X is a monoanion, and p is an integer from 2 to 6.

Abstract: A composition comprising a perfluoro-N2-phosphinylamidine chromium salt complex having Structure PFAHNPACr I: wherein Rf1 is a substituted phenyl group comprising alkyl groups at the 2 and 6 positions and at least one fluoro group or perfluoroalkyl group at the 3, 4, and/or 5 positions, R2 is a C1 to C30 organyl group, R4 and R5 are each independently a C1 to C30 organyl group, and CrXp is a chromium salt where X is a monoanion, and p is an integer from 2 to 6.

Abstract: A composition comprising an N2-phosphinylamidine chromium salt complex having Structure FNPACr I: wherein CrXp is a chromium salt where X is a monoanion and p is an integer from 2 to 6. A process comprising a) contacting i) ethylene, and ii) a catalyst system comprising an N2-phosphinylamidine chromium salt complex having Structure FNPACr I: wherein CrXp is a chromium salt where X is a monoanion and p is an integer from 2 to 6; and b) forming an oligomer product in a reaction zone.

Abstract: A catalyst system comprising an N2-phosphinylamidine chromium salt complex having Structure PFHNPACr I: wherein Rf1, Rf2, Rf4, and Rf5 are independently selected from a perfluorohydrocarbyl group; and CrXp is a chromium salt; X is a monoanion, and p is an integer from 2 to 6. A process comprising a) contacting i) ethylene, ii) a catalyst system comprising an N2-phosphinylamidine chromium salt complex having Structure PFHNPACr I: wherein each Rf1, Rf2, Rf4, and Rf5 are independently selected from a perfluorohydrocarbyl group and CrXp is a chromium salt; X is a monoanion and p is an integer from 2 to 6, and iii) optionally an organic reaction medium; and b) forming an oligomer product in a reaction zone.