کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1255019 971402 2013 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
The structural analysis of the inclusion complex of β-cyclodextrin with m-nitrophenoxyacetic acid
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی (عمومی)
پیش نمایش صفحه اول مقاله
The structural analysis of the inclusion complex of β-cyclodextrin with m-nitrophenoxyacetic acid
چکیده انگلیسی

The inclusion complex of β-cyclodextrin with m-nitrophenoxyacetic acid was studied by single crystal X-ray diffraction, 2D NMR spectroscopy and semi-empirical methods AM1. The crystallographic study shows that two β-cyclodextrins are held together by hydrogen bonds to form head-to-head dimers. The disordered guest molecule adjusts itself to attain the most stable accommodation into the cavity in which the nitro group is located at the dimer interface while the carboxyl group is buried in the primary hydroxyl groups of β-cyclodextrin. The guest inside the cavity is disordered over two sites and exhibits mobility. Moreover, 2D NMR spectroscopy and theoretical study show the same inclusion behavior. In comparison to the inclusion complex of β-cyclodextrin with p-nitrophenoxyacetic acid, the host-guest stoichiometries are different, i.e., 2:1 for m-nitrophenoxyacetic acid and 1:1 for p-nitrophenoxyacetic acid, while the inclusion orientation and the packing pattern of the host are similar in both complexes.

The inclusion behavior of β-cyclodextrin with m-nitrophenoxyacetic acid shows that β-cyclodextrin forms a 2:1 complex with m-nitrophenoxyacetic acid, in which the disordered guest molecule adjusts itself to attain the most stable accommodation into the cavity. In comparison to the inclusion complex of β-cyclodextrin with p-nitrophenoxyacetic acid, the host-guest stoichiometries are different, i.e., 2:1 for m-nitrophenoxyacetic acid and 1:1 for p-nitrophenoxyacetic acid, while the inclusion orientation and the packing pattern of the host are similar in both complexes.Figure optionsDownload as PowerPoint slide

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chinese Chemical Letters - Volume 24, Issue 6, June 2013, Pages 487–490
نویسندگان
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