Conformation and stability of ether-water adducts: Free jet absorption millimeter wave spectrum of 1,4-dioxane-water

被引：37

作者：

Caminati, W ^{[1
]}

Dell'Erba, A ^{[1
]}

Melandri, S ^{[1
]}

Favero, PG ^{[1
]}

机构：

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

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1998年 / 120卷 / 22期

关键词：

D O I：

10.1021/ja973958b

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The free jet millimeter wave spectra of the 1:1 complex between 1,4-dioxane and four isotopomers of water (H2O, D2O, HDO, and (H2O)-O-18) have been assigned. The water molecule lies in the plane of symmetry of 1,4-dioxane; the water hydrogen involved in the hydrogen bond is axial with respect to the ring, while the "free" hydrogen is entgegen to the ring. The three atoms involved in the hydrogen bond adopt a bent arrangement with a distance O-ring... H of about 1.90 Angstrom and angle(O-ring... H-O) congruent to 163 degrees.

引用

页码：5555 / 5558

页数：4

共 39 条

[1] MICROWAVE-SPECTRA OF C2H4 H2O AND ISOTOPOMERS [J].