Conformational analysis of the covalent pirkle chiral stationary phases. |
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| Affiliation: | 1. Institute of Chemical Methodologies, Italian National Research Council (C.N.R.), Monterotondo, Italy;2. Centro Integrato di Ricerca, Campus Bio-Medico University, Rome, Italy;3. Instituto Volcanológico de Canarias (INVOLCAN), Parque Taoro, Puerto de La Cruz, Tenerife, Spain;1. College of Materials Science and Engineering, Shenzhen Key Laboratory of Polymer Science and Technology, Guangdong Research Center for Interfacial Engineering of Functional Materials, Nanshan District Key Laboratory for Biopolymers and Safety Evaluation, Shenzhen University, Shenzhen, 518055, PR China;2. School of Advanced Chemical Sciences, Shoolini University, Solan, Himachal Pradesh, India-173229;3. International Research Centre of Nanotechnology for Himalayan Sustainability (IRCNHS), Shoolini University, Solan, 173229, India;4. State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012, PR China;5. Department of Chemistry, College of Science, Princess Nourah bint Abdulrahman University, Riyadh 11671, Saudi Arabia;6. Advanced Materials Research Chair, Department of Chemistry, College of Science, King Saud University, Riyadh 11451, Saudi Arabia;7. Yonsei Frontier Lab, Yonsei University, Seoul, Korea;8. Environmental Engineering and Management Research Group, Ton Duc Thang University, Ho Chi Minh City, Vietnam;9. Faculty of Environment and Labour Safety, Ton Duc Thang University, Ho Chi Minh City, Vietnam;1. Key Laboratory of Advanced Mass Spectrometry and Molecular Analysis of Zhejiang Province, Institute of Mass Spectrometry, School of Material Science and Chemical Engineering, Ningbo University, Ningbo, Zhejiang, 315211, China;2. National Institute of Metrology, Beijing, 100029, China;3. Department of Chemistry, Fudan University, Shanghai, 200433, China;1. Bruker Daltonics, Inc., 40 Manning Rd., Billerica, MA, 01821, USA;2. Dept of Chemistry and Biochemistry, Florida State University, Tallahassee, FL, 32306-4389, USA;3. Proteomics and Signal Transduction, Max Plank Institute of Biochemistry, Am Klopferspitz 18, 82152, Martinsried, Germany |
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| Abstract: | The multidimensional potential energy surface for a model Pirkle chiral stationary phase is computed with MM2. Five minimum energy conformations are located, the minimum energy reaction pathway between the three lowest energy forms is described and the ability of these chiral phases to act as templates is discussed. |
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