非质子介质中琥珀酸单阴离子二面角的测定。

Determination of the dihedral angle of the monoanion of succinic acid in aprotic media.

作者信息

Smith Albert A, Drake Michael D, Rahim Andreas K, Roberts John D

机构信息

California Institute of Technology, 1200 East California Blvd. Pasadena, California 91125, USA.

出版信息

J Phys Chem A. 2008 Dec 4;112(48):12367-71. doi: 10.1021/jp801644a.

DOI:10.1021/jp801644a

Abstract

A value of 74(+/-4) degrees was determined from NMR-observed dipolar couplings for the rotational dihedral angle of the monosuccinate anion in an aprotic liquid-crystal solution of the gauche conformation of tetraoctylammonium monosuccinate. This value is in reasonable agreement with other, somewhat less definitive, evidence gleaned from isotropic vicinal proton-proton couplings of the essentially completely gauche preference of the monosuccinate anion in tert-butyl alcohol and aprotic solvents, such as DMSO and THF, and quantum computations for the monoanion in THF.

摘要

通过核磁共振（NMR）观察到的四辛基铵单琥珀酸酯的邻位构象在非质子液晶溶液中，单琥珀酸根阴离子旋转二面角的偶极耦合确定的值为74（±4）度。该值与从叔丁醇以及DMSO和THF等非质子溶剂中单琥珀酸根阴离子基本完全邻位偏好的各向同性邻位质子-质子耦合收集的其他不太明确的证据，以及THF中该单阴离子的量子计算结果合理一致。

相似文献

1

Determination of the dihedral angle of the monoanion of succinic acid in aprotic media.

J Phys Chem A. 2008 Dec 4;112(48):12367-71. doi: 10.1021/jp801644a.

2

Intramolecular hydrogen bonding in disubstituted ethanes. A comparison of NH...O- and OH...O- Hydrogen bonding through conformational analysis of 4-amino-4-oxobutanoate (succinamate) and monohydrogen 1,4-butanoate (monohydrogen succinate) anions.

J Phys Chem A. 2005 Oct 13;109(40):9076-82. doi: 10.1021/jp052925c.

3

Fascination with the conformational analysis of succinic acid, as evaluated by NMR spectroscopy, and why.

Acc Chem Res. 2006 Dec;39(12):889-96. doi: 10.1021/ar050229p.

4

Intramolecular hydrogen bonding in disubstituted ethanes: general considerations and methodology in quantum mechanical calculations of the conformational equilibria of succinamate monoanion.

J Phys Chem A. 2005 Oct 13;109(40):9083-8. doi: 10.1021/jp052953v.

5

Conformation and orientation of tetraalanine in a lyotropic liquid crystal studied by nuclear magnetic resonance.

J Phys Chem B. 2005 Nov 10;109(44):21102-9. doi: 10.1021/jp051797p.

6

An NMR and quantum-mechanical investigation of tetrahydrofuran solvent effects on the conformational equilibria of 1,4-butanedioic acid and its salts.

J Am Chem Soc. 2002 Apr 24;124(16):4481-6. doi: 10.1021/ja012016a.

7

Nuclear magnetic resonance study of alkane conformational statistics.

J Chem Phys. 2011 Dec 21;135(23):234506. doi: 10.1063/1.3665139.

8

How different are diastereomorphous orientations of enantiomers in the liquid crystalline phases of PBLG and PBDG: a case study.

Magn Reson Chem. 2009 Sep;47(9):734-40. doi: 10.1002/mrc.2454.

9

A model-free temperature-dependent conformational study of n-pentane in nematic liquid crystals.

J Chem Phys. 2015 Jan 14;142(2):024904. doi: 10.1063/1.4904822.

10

Orientation and dynamics of benzyl alcohol and benzyl alkyl ethers dissolved in nematic lyotropic liquid crystals. 2H NMR and molecular dynamics simulations.

J Phys Chem A. 2005 Aug 4;109(30):6644-51. doi: 10.1021/jp0441590.

文献AI研究员

20分钟写一篇综述，助力文献阅读效率提升50倍。

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

文档翻译

学术文献翻译模型，支持多种主流文档格式。