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Substituent effects on the gas phase basicities of acetophenones
Affiliation:1. Key Laboratory of Carbohydrate Chemistry and Biotechnology Ministry of Education, School of Biotechnology, Jiangnan University, Wuxi 214122, China;2. Wuxi Medical School, Jiangnan University, Wuxi 214122, China;3. Synergetic Innovation Center of Food Safety and Nutrition, Jiangnan University, Wuxi 214122, China;1. School of Pharmacy, Health Science Center, Xi’an Jiaotong University, Xi’an, 710061, China;2. Affiliated Dongfeng Hospital, Hubei University of Medicine, Shiyan, 442008, China;3. Department of Pharmacy, The First Affiliated Hospital of Xi’an Jiaotong University, Xi’an, 710061, China;1. Key Laboratory of Structure-Based Drug Design & Discovery of Ministry of Education, School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, 103 Wenhua Road, Shenhe District, Shenyang 110016, PR China;2. Wuya College of Innovation, Shenyang Pharmaceutical University, 103 Wenhua Road, Shenhe District, Shenyang 110016, PR China;1. Synthetic and Functional Biomolecules Center, Beijing National Laboratory for Molecular Sciences, Department of Chemical Biology, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China;2. Peking-Tsinghua Center for Life Sciences, Peking University, Beijing 100871, China;1. Department of Chemical Engineering, Tsinghua University, Beijing, 100084, PR China;2. State Key Laboratory of Chemical Oncogenomics, Guangdong Provincial Key Laboratory of Chemical Biology, Tsinghua Shenzhen International Graduate School, Shenzhen, 518055, PR China;3. Department of Chemistry Southern University of Science and Technology, Shenzhen, 518055, PR China;4. Dr. Neher''s Biophysics Laboratory for Innovative Drug Discovery, State Key Laboratory of Quality Research in Chinese Medicine, Macau University of Science and Technology, Macau, China;5. Shenzhen Kivita Innovat Drug Discovery Inst, Shenzhen, 518057, PR China;6. Shenzhen Bay Bio-pharm Technology Co., Ltd, Shenzhen, 518057, PR China;7. The Collaborative Innovation Center for Cancer Personalized Medicine, School of Public Health, Nanjing Medical University, Nanjing, 211166, China;8. Department of Pharmacology and Pharmaceutical Sciences, School of Medicine, Tsinghua University, Beijing, 100084, PR China;9. Institute of Biomedical Health Technology and Engineering, Shenzhen Bay Laboratory, Shenzhen, 518132, PR China
Abstract:The gas phase basicities of m- and p-substituted acetophenones have been determined by the ion cyclotron resonance (ICR) equilibrium constant method. The application of the LArSR Eq. to these substituent effects provides a ϱ=12.2 and an r+=0.76 with excellent precision.
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