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封装氨和甲烷的开孔富勒烯的合成与性质

Synthesis and Properties of Open Fullerenes Encapsulating Ammonia and Methane.

作者信息

Bloodworth Sally, Gräsvik John, Alom Shamim, Kouřil Karel, Elliott Stuart J, Wells Neil J, Horsewill Anthony J, Mamone Salvatore, Jiménez-Ruiz Mónica, Rols Stéphane, Nagel Urmas, Rõõm Toomas, Levitt Malcolm H, Whitby Richard J

机构信息

Chemistry, University of Southampton, Southampton, SO17 1BJ, UK.

School of Physics and Astronomy, University of Nottingham, Nottingham, NG7 2RD, UK.

出版信息

Chemphyschem. 2018 Feb 5;19(3):266-276. doi: 10.1002/cphc.201701212. Epub 2018 Jan 4.

DOI:10.1002/cphc.201701212
PMID:29131544
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5838534/
Abstract

We describe the synthesis and characterisation of open fullerene (1) and its reduced form (2) in which CH and NH are encapsulated, respectively. The H NMR resonance of endohedral NH is broadened by scalar coupling to the quadrupolar N nucleus, which relaxes rapidly. This broadening is absent for small satellite peaks, which are attributed to natural abundance N. The influence of the scalar relaxation mechanism on the linewidth of the H ammonia resonance is probed by variable temperature NMR. A rotational correlation time of τ =1.5 ps. is determined for endohedral NH , and of τ =57±5 ps. for the open fullerene, indicating free rotation of the encapsulated molecule. IR spectroscopy of NH @2 at 5 K identifies three vibrations of NH (ν , ν and ν ) redshifted in comparison with free NH , and temperature dependence of the IR peak intensity indicates the presence of a large number of excited translational/ rotational states. Variable temperature H NMR spectra indicate that endohedral CH is also able to rotate freely at 223 K, on the NMR timescale. Inelastic neutron scattering (INS) spectra of CH @1 show both rotational and translational modes of CH . Energy of the first excited rotational state (J=1) of CH @1 is significantly lower than that of free CH .

摘要

我们描述了开孔富勒烯（1）及其还原形式（2）的合成与表征，其中分别包封了CH和NH。内包NH的H NMR共振因与四极N核的标量耦合而变宽，该N核弛豫迅速。对于归因于天然丰度N的小卫星峰，这种变宽不存在。通过变温NMR探究了标量弛豫机制对H氨共振线宽的影响。确定内包NH的旋转相关时间为τ = 1.5 ps，开孔富勒烯的旋转相关时间为τ = 57±5 ps，表明包封分子可自由旋转。5 K下NH@2的红外光谱识别出NH的三种振动（ν、ν和ν），与游离NH相比发生了红移，并且红外峰强度的温度依赖性表明存在大量激发的平动/转动状态。变温H NMR光谱表明，在内包CH的情况下，在NMR时间尺度上，223 K时CH也能够自由旋转。CH@1的非弹性中子散射（INS）光谱显示了CH的转动和平动模式。CH@1的第一激发转动态（J = 1）的能量明显低于游离CH 的能量。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/230a/5838534/eb33fc6d2132/CPHC-19-266-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/230a/5838534/c9fd50517823/CPHC-19-266-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/230a/5838534/f78c80563572/CPHC-19-266-g012.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/230a/5838534/86c1b48b39f0/CPHC-19-266-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/230a/5838534/569473aedd93/CPHC-19-266-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/230a/5838534/d1f9d2b1181d/CPHC-19-266-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/230a/5838534/0ea5bcc70041/CPHC-19-266-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/230a/5838534/5842039ae988/CPHC-19-266-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/230a/5838534/3ebe21a28f1e/CPHC-19-266-g013.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/230a/5838534/bb65f4a12f44/CPHC-19-266-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/230a/5838534/eb33fc6d2132/CPHC-19-266-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/230a/5838534/c9fd50517823/CPHC-19-266-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/230a/5838534/f78c80563572/CPHC-19-266-g012.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/230a/5838534/86c1b48b39f0/CPHC-19-266-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/230a/5838534/569473aedd93/CPHC-19-266-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/230a/5838534/d1f9d2b1181d/CPHC-19-266-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/230a/5838534/0ea5bcc70041/CPHC-19-266-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/230a/5838534/5842039ae988/CPHC-19-266-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/230a/5838534/3ebe21a28f1e/CPHC-19-266-g013.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/230a/5838534/bb65f4a12f44/CPHC-19-266-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/230a/5838534/eb33fc6d2132/CPHC-19-266-g008.jpg

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