The infrared spectrum of the adamantyl cation
作者： Nick Polfer , Boris G. Sartakov , Jos Oomens
DOI: 10.1016/J.CPLETT.2004.10.108
关键词: Dehydrogenation 、 Dissociation (chemistry) 、 Physical chemistry 、 Absorption spectroscopy 、 Chemistry 、 Adamantane 、 Gas phase 、 Infrared 、 Computational chemistry
摘要: Abstract This Letter reports the gas phase infrared spectrum (500–1600 cm −1 ) of adamantyl cation ( C 10 H 15 + , dehydrogenated adamantane. The experimental is in reasonable agreement with recently reported theoretical for 1-adamantyl isomer [G. Yan, N.R. Brinkmann, H.F. Schaefer, J. Phys. Chem. A 107 (2003) 9479]. An inclusion vibrational anharmonicities linear absorption to yield a multiple-photon dissociation improves fitting considerably. prevalence isomer, as opposed 2-adamantyl can be rationalized by its lower calculated energy (0.49 eV).
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