Guest Molecules in a Layered Microporous Tin(IV) Phosphonate - Phosphate Material: Solid State NMR Studies

Bakhmutov Vladimir I.; Elliott Douglas W.; Contreras Aida R.; Clearfield Abraham

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Guest Molecules in a Layered Microporous Tin(IV) Phosphonate - Phosphate Material: Solid State NMR Studies

机译：层状微孔锡（IV）膦酸酯 - 磷酸盐材料的客体分子：固态NMR研究

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There is little systematic understanding of pore surfaces in layered microporous metal(IV) phosphate-phosphonate materials and their interactions with guest molecules. In this paper, we show how to probe the mobility of guest molecules in such poorly crystalline systems using multinuclear solid-state NMR and relaxation time measurements. Anisotropic motions of benzene-d(6) molecules absorbed on the pore walls of material Sn(O3PC6H4PO3)(0.85)(O3POH)(0.33) (1) have been recognized as the fast in-plane C-6 rotation due to metal-pi interactions with pore walls. The benzene-d(6) absorption enthalpy due to Sn center dot center dot center dot pi interactions has been determined as -Delta H = 5.9 kcal/mol. Specific interactions between pyridine and the pore walls of 1 have been observed as immobile pyridine, the population of which grows strongly at low temperatures to show thermodynamic parameters -Delta H of 5.0 kcal/mol and Delta S of -11.0 e.u. It has been suggested that these parameters characterize N center dot center dot center dot H-OP hydrogen bonding as a driving force for accumulation of immobile pyridine molecules in pores of compound 1.

机译：对层状微孔金属（IV）磷酸膦酸盐材料（与客体分子的相互作用而言，对孔表面的系统理解很少。在本文中，我们展示了如何使用多核固态NMR和弛豫时间测量来探测在这种差的结晶系统中的客体分子的移动性。在材料Sn（O3PC6H4PO3）（0.85）（0.85）（0.33）（0.33）（0.33）（0.33）（1）的孔壁上吸收的苯-D（6）分子的各向异性运动已经被认为是由于金属的快速面内C-6旋转PI与孔墙相互作用。由于Sn中心点中心点中心点PI相互作用的苯-D（6）吸收焓已被确定为-delta h = 5.9 kcal / mol。已经观察到吡啶和1的孔壁之间的特异性相互作用作为固定吡啶，其群体在低温下强烈生长，以显示热力学参数 - ΔH为5.0 kcal / mol和-11.0的δs。已经提出，这些参数表征了N中心点中心点中心点H-OP氢键作为用于积聚在化合物1的孔中的固定吡啶分子的驱动力。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2018年第51期|共9页
作者
Bakhmutov Vladimir I.; Elliott Douglas W.; Contreras Aida R.; Clearfield Abraham;
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Texas A&

M Univ Dept Chem POB 30012 College Stn TX 77842 USA;

Texas A&

M Univ Dept Chem POB 30012 College Stn TX 77842 USA;

Texas A&

M Univ Dept Chem POB 30012 College Stn TX 77842 USA;

Texas A&

M Univ Dept Chem POB 30012 College Stn TX 77842 USA;

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正文语种 eng
中图分类物理化学（理论化学）、化学物理学;
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1. Guest Molecules in a Layered Microporous Tin(IV) Phosphonate - Phosphate Material: Solid State NMR Studies [J] . Bakhmutov Vladimir I., Elliott Douglas W., Contreras Aida R., The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2018,第51期

机译：层状微孔锡（IV）膦酸酯 - 磷酸盐材料的客体分子：固态NMR研究
2. Benzene-d(6) and toluene-d(8) as guest molecules in micropores of a layered zirconium phosphonate: H-2, C-13{H-1}, and P-31{H-1} solid-state NMR, deuterium NMR relaxation, and molecular motions [J] . Contreras Aida R., Bakhmutov Vladimir I., Elliott Douglas W., Magnetic Resonance in Chemistry: MRC . 2018,第12期

机译：苯-D（6）和甲苯-D（8）作为层状锆膦酸锆的微孔中的客体分子：H-2，C-13 {H-1}和P-31 {H-1}固态NMR ，氘NMR弛豫和分子运动
3. (31)p Solid-State NMR Relaxation in the Zirconium Phosphate Network in the Presence of Paramagnetic Centers: A Detailed Relaxation Study in Static and Rotating Samples of Layered Zirconium Phosphate Materials [J] . Bakhmutov Vladimir I., Clearfield Abraham The journal of physical chemistry, C. Nanomaterials and interfaces . 2017,第13期

机译：（31）P磷酸锆网络中的P固态NMR松弛在副古代中心的存在下：在磷酸锆材料的静态和旋转样品中进行详细的放松研究
4. 1{sup left}H, 2{sup left}H and 29{sup left}Si solid state NMR study of guest acetone molecules occupying the zeolitic channels of partially dehydrated sepiolite clay [C] . M. R. Weir, G. A. Facey, C. Detellier Conference on Access in Nanoporous Materials . 2000

机译：1 {sup left} h，2 {sup离开} h和29 {sup左} Si固态NMR研究的客体丙酮分子占据部分脱水海泡石粘土的沸石
5. Development of pillared M(IV) phosphate phosphonate inorganic organic hybrid ion exchange materials for applications in separations found in the nuclear fuel cycle. [D] . Burns, Jonathan David. 2012

机译：开发用于核燃料循环中分离的柱状磷酸M（IV）膦酸酯无机有机杂化离子交换材料。
6. Applications of Solid-State NMR Spectroscopy for the Study of Lipid Membranes with Polyphilic Guest (Macro)Molecules [O] . Ruth Bärenwald, Anja Achilles, Frank Lange, 2016

机译：固态NMR光谱在研究具有多亲客（大分子）分子的脂质膜中的应用
7. On Librational and Rotational Motions of Aromatic Rings in Layered Sn(IV) and Zr(IV) Phosphonate Materials: A Variable-Temperature 13C, 31P Solid-State NMR Study [O] . -1

机译：在分层Sn（IV）和Zr（IV）膦酸盐材料中芳环的梯形和旋转运动：可变温度13c，31p固态NMR研究
8. Solid state (sup 31)P NMR study of phosphonate binding sites in guanidine-functionalized, molecular imprinted silica xerogels [R] . Sasaki, D. Y. , Alam, T. D. 2000

机译：胍官能化分子印迹二氧化硅干凝胶中膦酸盐结合位点的固态（sup 31）p NmR研究

Guest Molecules in a Layered Microporous Tin(IV) Phosphonate - Phosphate Material: Solid State NMR Studies

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