title: Accessing structure and dynamics of mobile phase in organic solids by real-time T1C filter PISEMA NMR spectroscopy.
abstract: The structure and dynamic behavior of mobile components play a significant role in determining properties of solid materials. Herein, we propose a novel real-time spectrum-editing method to extract signals of mobile components in organic solids on the basis of the polarization inversion spin exchange at magic angle (PISEMA) pulse sequence and the difference in (13)C T(1) values of rigid and mobile components. From the dipolar splitting spectrum sliced along the heteronuclear dipolar coupling dimension of the 2D spectrum, the structural and dynamic information can be obtained, such as the distances between atoms, the dipolar coupling strength, the order parameter of the polymer backbone chain, and so on. Furthermore, our proposed method can be used to achieve the separation of overlapped NMR signals of mobile and rigid phases in the PISEMA experiment. The high efficacy of this 2D NMR method is demonstrated on organic solids, including crystalline L-alanine, semicrystalline polyamide-6, and the natural abundant silk fibroin.
authors.affiliation: Key Laboratory of Functional Polymer Materials, Ministry of Education, College of Chemistry, Nankai University, Tianjin, People's Republic of China.
authors.forename: Rongchun
authors.initials: R
authors.lastname: Zhang
authors.forename: Yuzhu
authors.initials: Y
authors.lastname: Chen
authors.forename: Tiehong
authors.initials: T
authors.lastname: Chen
authors.forename: Pingchuan
authors.initials: P
authors.lastname: Sun
authors.forename: Baohui
authors.initials: B
authors.lastname: Li
authors.forename: Datong
authors.initials: D
authors.lastname: Ding
mesh_terms: D000409:Alanine / Q000737:chemistry*; D002209:Caprolactam / Q000031:analogs & derivatives* / Q000737:chemistry; D005349:Fibroins / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D056004:Molecular Dynamics Simulation; D015394:Molecular Structure; D011108:Polymers / Q000737:chemistry*; D013997:Time Factors
chemical_list: D011108:Polymers; C009916:nylon 6; D002209:Caprolactam; D005349:Fibroins; D000409:Alanine