Conformational equilibrium of formanilide:: detection of the pure rotational spectrum of the tunnelling cis conformer

被引：17

作者：

Blanco, S

López, JC

Lesarri, A

Caminati, W

Alonso, JL ^{[1
]}

机构：

[1] Univ Valladolid, Fac Ciencias, Dept Quim Fis & Quim Inorgan, E-47005 Valladolid, Spain

[2] Univ Bologna, Dipartimento Chim G Ciamician, I-40126 Bologna, Italy

来源：

MOLECULAR PHYSICS | 2005年 / 103卷 / 11-12期

关键词：

D O I：

10.1080/00268970500099925

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Formanilide has been investigated by molecular beam Fourier transform microwave spectroscopy. The rotational spectra of two conformers, with the formyl hydrogen cis or trans with respect to the phenyl group have been measured. Their relative energy has been estimated to be 350 +/- 150 cm(-1), the trans form being more stable. In the cis species the plane of the pseudo-peptidic group forms an angle of +/- 34.7(5)degrees (equilibrium value) with the ring. The two equivalent configurations, corresponding to the + or - sign, are tunnelling through a barrier to planarity of 152(2) cm(-1).

引用

页码：1473 / 1479

页数：7

共 20 条

[11] Experimental studies of peptide bonds:: Identification of the C7eq conformation of the alanine dipeptide analog N-acetyl-alanine N-methylamide from torsion-rotation interactions [J].