Resonance Raman observation of the allyl cation produced after ultraviolet photodissociation of cyclopropyl bromide in acetonitrile solution |
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| Institution: | 1. Department of Applied Chemistry, Zhejiang Institute of Science and Technology, Hangzhou, PR China;2. Department of Chemistry, The University of Hong Kong, Pokfulam Road, Hong Kong;1. College of Physics and Electronics, Shandong Normal University, Jinan 250014, China;2. School of Materials Science and Engineering, QiLu University of Technology, Jinan 250353, China;1. Department of Epidemiology, Geisel School of Medicine at Dartmouth, and Cancer Epidemiology Research Program, Norris Cotton Cancer Center, Lebanon, NH, United States;2. Department of Epidemiology and Biostatistics, Memorial Sloan Kettering Cancer Center, New York, NY, United States;3. Office of Community and Population Health, Montefiore Medical Center, Bronx, NY, United States;1. Key Laboratory of Zoonosis Research, Ministry of Education, College of Veterinary Medicine, Jilin University, Changchun, China;2. Institute of Zoonosis, Jilin University, Changchun, China;3. Laboratory Animal Center, North China University of Science and Technology, Tangshan, China;4. Laboratory Animal Center, China Medical University, Shenyang, China;1. CSIR-Central Salt and Marine Chemicals Research Institute (CSIR-CSMCRI), Council of Scientific & Industrial Research (CSIR),Gijubhai Badheka Marg, Bhavnagar, 364 002, Gujarat, India;2. Academy of Scientific and Innovative Research, CSIR-Central Salt and Marine Chemicals Research Institute (CSIR-CSMCRI), Council of Scientific & Industrial Research (CSIR),Gijubhai Badheka Marg, Bhavnagar, 364 002, Gujarat, India |
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| Abstract: | We have obtained transient resonance Raman spectra of the CH2CHCH2]+ (allyl cation) produced following C-band excitation of cyclopropyl bromide. The experimental resonance Raman spectrum display an overtone progression in the nominal CCC]+ stretch mode and its combination bands with the CH/CH2 rocking modes. Density functional theory computations were performed to estimate the vibrational frequencies for the allyl cation, the allyl radical, the cyclopropyl radical, the cyclopropyl bromide molecule and the gauche-allyl bromide molecule and compared to the experimental vibrational frequencies. This comparison indicates that the allyl cation can be formed as a product of cyclopropyl bromide photodissociation in acetonitrile solution. |
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