C-C bond order parameters from H-2 and C-13 solid-state NMR

被引:8
作者
Douliez, JP
Bechinger, B
Davis, JH
Dufourc, EJ
机构
[1] CTR RECH PAUL PASCAL,CNRS,F-33600 PESSAC,FRANCE
[2] UNIV GUELPH,DEPT PHYS,GUELPH,ON N1G 2W1,CANADA
[3] MAX PLANCK INST BIOCHEM,D-82152 MARTINSRIED,GERMANY
关键词
D O I
10.1021/jp961457r
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 this letter we demonstrate the accuracy of the C-k-1-C-k bond order parameters, S-k(CC), when determined from the C-k-D (H-2) bond order parameters, S-k(CD), as experimentally measured on a fully deuterated chain. Two different approaches were taken to determine the C-1-C-2 bond order parameter, S-2(CC), of a palmitic acid chain (k = 1-16) embedded in a Liquid crystal. First, solid-state 2H NMR experiments were performed on the perdeuterated chain in order to obtain its C-D bond order parameter profile. The recursion relation, -2S(k)(CD) = S-k(CC) + S-k+1(CC), between consecutive S-k(CC), where k stands for the labeled carbon position was used to calculate S-2(CC). Second, having included a quantity of palmitic acid specifically C-13-labeled at the C-1 and C-2 positions, the dipolar coupling between these carbons was measured using one- and two-dimensional C-13 solid-state NMR spectroscopy. This coupling provides a direct and independent measure of S-2(CC), the order parameter of interest. Both methods agree within 4%.
引用
收藏
页码:17083 / 17086
页数:4
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