Quasielastic neutron scattering of -NH3 and -BH3 rotational dynamics in orthorhombic ammonia borane

被引：24

作者：

Hess, Nancy J. ^{[1
]}

Hartman, Michael R. ^{[2
]}

Brown, Craig M. ^{[3
]}

Mamontov, Eugene ^{[3
,4
]}

Karkamkar, Abhijeet ^{[1
]}

Heldebrant, David J. ^{[1
]}

Daemen, Luc L. ^{[5
]}

Autrey, Tom ^{[1
]}

机构：

[1] Pacific NW Natl Lab, Richland, WA 99354 USA

[2] Univ Michigan, Ann Arbor, MI 48109 USA

[3] NIST, Ctr Neutron Res, Gaithersburg, MD USA

[4] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA

[5] Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, Los Alamos, NM 87545 USA

来源：

CHEMICAL PHYSICS LETTERS | 2008年 / 459卷 / 1-6期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/j.cplett.2008.04.130

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：

Energy barriers for rotation of -NH3 and -BH3 in the orthorhombic phase of ammonia borane, NH3BH3, were determined using quasielastic neutron scattering (QENS). QENS confirms the 3-site jump model of rotational diffusion and yields barrier heights of 23.6 +/- 1.0 kJ/mol and 14.8 +/- 0.4 kJ/mol for the borane and amine groups, respectively, which are comparable to barrier heights determined by recent H-2 and N-15 NMR studies suggesting no significant isotope effect on rotational motion in the orthorhombic phase of ammonia borane. Published by Elsevier B.V.

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页码：85 / 88

页数：4

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