Experimental Determination of Pseudorotation Potentials for Disubstituted Cyclopentanes Based on Spin–Spin Coupling Constants

Sergei V. Zubkov; Vyacheslav A. Chertkov

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Experimental Determination of Pseudorotation Potentials for Disubstituted Cyclopentanes Based on Spin–Spin Coupling Constants

机译：基于自旋-自旋偶合常数的二取代环戊烷假旋转电位的实验测定

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Complete analysis of 1H-NMR spectra of trans-1,2-dichlorocyclopentane and trans-1,2-dibromocyclopentane was performed with use of our total lineshape fitting algorithm VALISA. The resulting high precision spin-spin coupling constants were then applied to the problem of conformational analysis, yielding a continuos potential of pseudorotation for the studied compounds in CDCl₃, CCl₄, and CD₃CN solutions.

机译：使用我们的总线形拟合算法VALISA对反式1,2-二氯环戊烷和反式1,2-二溴环戊烷的 1 H-NMR谱进行了完整分析。然后将由此产生的高精度自旋-自旋偶合常数应用于构象分析问题，从而得到所研究化合物在CDCl _{3 ，CCl _{4 中的假旋转的连续潜能。和CD _{3 CN解决方案。}}}

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《International Journal of Molecular Sciences》 |2003年第3期|共12页
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Sergei V. Zubkov; Vyacheslav A. Chertkov;
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中图分类生物物理学;
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1. Extension of the Karplus Relationship for NMR Spin-Spin Coupling Constants to Nonplanar Ring Systems: Pseudorotation of Cyclopentane [J] . Anan Wu, Dieter Cremer, Alexander A. Auer, The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2002,第4期

机译：NMR自旋偶联常数的Karplus关系扩展到非平面环系统：环戊烷的假旋转
2. Stereochemical study of iminodihydrofurans based on experimental measurements and SOPPA calculations of C-13-C-13 spin-spin coupling constants [J] . Krivdin LB, Khutsishvili SS, Shemyakina OA, Magnetic Resonance in Chemistry: MRC . 2007,第9期

机译：基于实验测量和C-13-C-13自旋-自旋偶联常数的SOPPA计算，对亚氨基二氢呋喃进行立体化学研究
3. Lamb-dip millimeter-wave spectroscopy of HCP: Experimental and theoretical determination of P-31 nuclear spin-rotation coupling constant and magnetic shielding [J] . Bizzocchi L, Esposti CD, Dore L, Chemical Physics Letters . 2005,第1a3期

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4. Tribological Properties of a Pennzane-Based Liquid Lubricant (Disubstituted Alkylated Cyclopentane) for Low Temperature Space Applications [C] . Clifford Venier, Edward W. Casserly, William R. Jones Jr., Aerospace Mechanisms Symposium . 2002

机译：用于低温空间应用的杂氮基液体润滑剂（二取代烷基化环戊烷）的摩擦学性质
5. NUCLEAR MAGNETIC RESONANCE STUDIES: PART I. FLUORINE-19 SPIN-SPIN COUPLING CONSTANTS. PART II. THE EFFECT OF SOLVENTS ON FLUORINE-19 SPIN-SPIN COUPLING CONSTANTS [D] . NG, SOON. 1964

机译：核磁共振研究：第一部分。Fluorine-19自旋-自旋耦合常数。第二部分溶剂对Fluorine-19自旋偶联常数的影响
6. A user-friendly Matlab program and GUI for the pseudorotation analysis of saturated five-membered ring systems based on scalar coupling constants [O] . Pieter MS Hendrickx, José C Martins 2008

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7. Experimental Determination of Pseudorotation Potentials for Disubstituted Cyclopentanes Based on Spin–Spin Coupling Constants [O] . Sergei V. Zubkov, Vyacheslav A. Chertkov 2014

机译：基于自旋 - 自旋耦合常数的双取代环戊烷伪旋转电位的实验测定

Experimental Determination of Pseudorotation Potentials for Disubstituted Cyclopentanes Based on Spin–Spin Coupling Constants

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