Structural investigations of poly(methyl methacrylate) by two-dimensional NMR

被引:79
作者
Brar, AS [1 ]
Singh, G [1 ]
Shankar, R [1 ]
机构
[1] Indian Inst Technol, Dept Chem, New Delhi 110016, India
关键词
NMR; PMMA; microstructure; modeling;
D O I
10.1016/j.molstruc.2004.05.030
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
In the present paper a comprehensive microstructure analysis of PMMA based on the combination of one-dimensional and two-dimensional (TOCSY, HSQC, and HMBC) NMR experiments is reported. To resolve complex resonance assignments, empirical chemical shift modeling supported by the 2D NMR spectroscopy has been done. Rigorous assignments of resonance signals have been done by investigating the one bond couplings between carbon/proton nuclei by the HSQC (heteronuclear single quantum coherence) and two bond proton/proton couplings by TOCSY (total correlation spectroscopy) experiments. Investigations of the two and three bond order carbon/proton couplings from HMBC.(heteronuclear multi bond correlation) spectrum are reported. (C) 2004 Elsevier B.V. All rights reserved.
引用
收藏
页码:69 / 81
页数:13
相关论文
共 30 条
[1]  
[Anonymous], 1989, GENETIC ALGORITHM SE
[2]  
[Anonymous], 1997, GENETIC PROGRAMMING
[3]   Genetic algorithm-based method for selecting wavelengths and model size for use with partial least-squares regression: Application to near-infrared spectroscopy [J].
Bangalore, AS ;
Shaffer, RE ;
Small, GW ;
Arnold, MA .
ANALYTICAL CHEMISTRY, 1996, 68 (23) :4200-4212
[4]   ABSOLUTE-CONFIGURATION ASSIGNMENTS FOR POLY(METHYL METHACRYLATE) AND POLY(ALPHA-METHYLSTYRENE) USING PROTON-DETECTED HETERONUCLEAR SHIFT-CORRELATED NMR-SPECTROSCOPY [J].
BERGER, PA ;
KOTYK, JJ ;
REMSEN, EE .
MACROMOLECULES, 1992, 25 (26) :7227-7233
[5]  
BOVEY FA, 1987, NUCL MAGNETIC RESONA, P360
[6]  
CHEN HN, 1984, ANAL CHIM ACTA, V285, P223
[7]  
Cheng H.N., 2000, POLYM NEWS, V25, P114
[8]   GENERAL-ANALYSIS OF THE C-13 NUCLEAR MAGNETIC-RESONANCE SPECTRA OF VINYL COPOLYMERS BY THE SPECTRAL SIMULATION APPROACH [J].
CHENG, HN ;
BENNETT, MA .
ANALYTICAL CHEMISTRY, 1984, 56 (13) :2320-2327
[9]   COMPUTERIZED MODEL-FITTING APPROACH FOR THE NMR ANALYSIS OF POLYMERS [J].
CHENG, HN .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1987, 27 (01) :8-13
[10]  
DEB K, 2002, OPTIMIZATION ENG DES, P290