13C CP/MAS NMR study of accommodation of various organic molecules in (±)-[Co(en)3]Cl3 ionic crystal and their local structure

Ueda, Takahiro; Nagaoka, Naomi; Eguchi, Taro; Nakamura, N.

doi:10.1016/j.micromeso.2008.06.024

Cited by 1 publication

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“…Assuming that a spin temperature was achieved in a 1 H spin system, we can neglect the correlation effect between spin subgroups and consider only the intragroup contribution to the dipolar relaxation. The total 1 /T 1 is represented by the superposition of each contribution 1/ T 1, i as follows: , 1 T 1 = 1 N ∑ italici n i T 1 , i …”

Section: Resultsmentioning

confidence: 99%

“…In a powder sample consisting of a like-spin system, Δ M 2 is given by the difference between the second moment in the rigid lattice and the reduced second moment. For bulk benzene, Andrew and Eades conducted a well-known detailed study of the second moment using deuteron-substituted benzenes . The intra- and intermolecular contributions to the second moment of benzene were evaluated to be 3.1 G 2 and 6.57 G 2 , respectively, for a rigid lattice.…”

Section: Resultsmentioning

confidence: 99%

“…For bulk benzene, Andrew and Eades conducted a well-known detailed study of the second moment using deuteron-substituted benzenes. 23 The intra-and intermolecular contributions to the second moment of benzene were evaluated to be 3. The C value in cavity I (short T 1 ) is larger than the intra-and intermolecular contributions of bulk benzene undergoing isotropic reorientation.…”

Section: Resultsmentioning

confidence: 99%

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¹H NMR Study of Molecular Motion of Benzene and n-Decane Confined in the Nanocavities of Metal–Organic Frameworks

et al. 2011

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The molecular motion of benzene and n-decane confined in the nanocavities of [Zn4O(O2CC6H4CO2)3] n (IRMOF-1) was investigated in terms of the temperature dependence of the proton spin–lattice relaxation time (1H T 1). Both substances exhibited two components of T 1, below 216 K for benzene and 181 K for n-decane, indicating that the guest molecules are localized separately in large and small cavities. For n-decane below 181 K, methyl reorientation is excited although the rate of reorientation in large and small cavities differed, whereas the overall motion was frozen. A thermal anomaly accompanies the translational diffusion of n-decane and is associated with melting of the confined n-decane. For benzene, translational diffusion was also excited at the thermal anomaly at 216 K, indicating melting of benzene molecular assemblies in IRMOF-1. Below 216 K, the molecular motions in the large and small cavities differed. In the large cavities, benzene undergoes isotropic reorientation, which is unaffected by the thermal anomaly at 150 K, whereas in small cavities in-plane C 6 reorientation occurs, and the isotropic reorientation and the intracavity diffusion are successively excited as the temperature increases. In particular, the acceleration of the isotropic reorientation of benzene accompanies the thermal anomaly at 150 K, corresponding to the partial melting of molecular assemblies in the small cavities.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

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¹H NMR Study of Molecular Motion of Benzene and n-Decane Confined in the Nanocavities of Metal–Organic Frameworks

et al. 2011

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13C CP/MAS NMR study of accommodation of various organic molecules in (±)-[Co(en)3]Cl3 ionic crystal and their local structure

Cited by 1 publication

References 33 publications

¹H NMR Study of Molecular Motion of Benzene and n-Decane Confined in the Nanocavities of Metal–Organic Frameworks

¹H NMR Study of Molecular Motion of Benzene and n-Decane Confined in the Nanocavities of Metal–Organic Frameworks

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13C CP/MAS NMR study of accommodation of various organic molecules in (±)-[Co(en)3]Cl3 ionic crystal and their local structure

Cited by 1 publication

References 33 publications

1H NMR Study of Molecular Motion of Benzene and n-Decane Confined in the Nanocavities of Metal–Organic Frameworks

1H NMR Study of Molecular Motion of Benzene and n-Decane Confined in the Nanocavities of Metal–Organic Frameworks

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¹H NMR Study of Molecular Motion of Benzene and n-Decane Confined in the Nanocavities of Metal–Organic Frameworks

¹H NMR Study of Molecular Motion of Benzene and n-Decane Confined in the Nanocavities of Metal–Organic Frameworks