HEAT OF FORMATION AND ADIABATIC ELECTRON-AFFINITY OF NH2

被引:36
作者
DEFREES, DJ
HEHRE, WJ
MCIVER, RT
MCDANIEL, DH
机构
[1] UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92664
[2] UNIV CINCINNATI,DEPT CHEM,CINCINNATI,OH 45221
关键词
D O I
10.1021/j100465a006
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
A pulsed ion cyclotron resonance spectrometer has been employed to determine the proton affinity of NH2· and the acidity of NH3. The measured proton affinity of NH2·, 186.5 ± 2 kcal mol-1, combined with the ionization potential of NH3 yields a homolytic bond dissociation energy for ammonia of 107.1 ± 2.2 kcal mol-1. This bond energy has been used, along with the heats of formation of NH3 and H·, to calculate a heat of formation of NH2· of 44.0 ± 2.3 kcal mol-1. Combining the proton affinity of NH2· with the measured acidity of ammonia, 403.1 ± 1 kcal mol-1, and the molecule's ionization potential, yields a value of 17.6 ± 3.2 kcal mol-1 for the electron affinity of the amino free radical. Several examples of ion cyclotron double resonance results are given, and their interpretation is discussed. © 1979 American Chemical Society.
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页码:232 / 237
页数:6
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