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Updated: Jul 6, 2026

A Simple and Efficient Protocol for the Catalytic Insertion Polymerization of Functional Norbornenes
Published on: February 27, 2017
C-H bond dissociation enthalpies in norbornane. An experimental and computational study
Paulo M Nunes1, Sílvia G Estacio, Gustavo T Lopes
1Centro de Química e Bioquímica and Departamento de Química e Bioquímica Faculdade de Ciências, Universidade de Lisboa, 1749-016 Lisbon, Portugal. panunes@fc.ul.pt
Abstract:
Gas-phase C-H bond dissociation enthalpies (BDEs) in norbornane were determined by quantum chemistry calculations and the C2-H BDE was experimentally obtained for the first time by time-resolved photoacoustic calorimetry. CBS-Q and CBS-QB3 methods were used to derive the values DH degrees (C1-H) = 449 kJ mol-1, DH degrees (C7-H) = 439 kJ mol-1, and DH degrees (C2-H) = 413 kJ mol-1. The experimental result DH degrees (C2-H) = 414.6 +/- 5.4 kJ mol-1 is in excellent agreement with the theoretical value. The trend DH degrees (C1-H) > DH degrees (C7-H) > DH degrees (C2-H) is discussed.
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