Ammoniated Ammonium Ions Studied Theoretically and Experimentally, ab initio Calculation and Tandem Mass Spectrometer Experiments

Yasumasa Ikezoe; Kazuya Suzuki

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Ammoniated Ammonium Ions Studied Theoretically and Experimentally, ab initio Calculation and Tandem Mass Spectrometer Experiments

机译：氨化铵离子的理论和实验研究，从头算和串联质谱实验

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Ammoniated ammonium ions (NH~+_4.nNH_3, n=0-6) were studied theoretically by molecular orbital calcula- tions and experimentally by observing their formation and decomposition in a corona discharge-jet expansion process. Ab initio calculations were carried out by employing Gaussian 98 program, which gave optimized structures, binding energies, and wave numbers of the symmetric bending mode of the solvent ammonia molecule.

机译：理论上通过分子轨道计算研究了氨化铵离子（NH〜+ _4.nNH_3，n = 0-6），并通过电晕放电-喷射膨胀过程观察了氨化铵离子的形成和分解，进行了实验研究。通过使用高斯98程序进行从头算计算，该程序给出了优化的结构，结合能和溶剂氨分子对称弯曲模式的波数。

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《Journal of the Mass Spectrometry Society of Japan》 |2000年第4期|p.254-262|共9页
作者
Yasumasa Ikezoe; Kazuya Suzuki;
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正文语种 jpn
中图分类分析化学;一般工业技术;
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Ammoniated Ammonium Ions Studied Theoretically and Experimentally, ab initio Calculation and Tandem Mass Spectrometer Experiments

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