Quantum-chemical calculations of13C chemical shifts of the alkoxide form in zeolites

Quantum-chemical calculations of 13 C NMR chemical shifts and a mass spectrometry investigation of products of the reaction of propene on zeolite HY are presented. Saturated hydrocarbons, surface alkoxides, alkanes, cycloalkanes, aromatic compounds, and carbocations in the form of protonated aromatics have been identified. No isopropyl cation in zeolite HY has been detected