Characterization of the triple ion [(CH3)(4)N+center dot PF6-center dot(CH3)(4)N+] in the gas-phase

Schroder D; Duchackova L; Jusinski I; Eckert-Maksic M; Heyda J; Tuma L; Jungwirth P

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Characterization of the triple ion [(CH3)(4)N+center dot PF6-center dot(CH3)(4)N+] in the gas-phase

机译：气相中三重离子[（CH3）（4）N +中心点PF6-中心点（CH3）（4）N +]的表征

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The triple ion [(CH3)(4)N+center dot PF6-center dot(CH3)(4)N+], generated by electrospray ionization of tetramethylammonium hexafluorophosphate, is characterized by collision-induced dissociation and infrared spectroscopy of the mass-selected gaseous ion in the range from 1000 to 2000 cm(-1). Quantum chemical calculations are used to elucidate the structures and energetics of the triple ion and its subunits and for the assignment of the infrared frequencies. The infrared bands observed in the gas-phase match quite closely with those of the bulk substance, suggesting that for this particular kind of ion associate the structural differences between the gas-phase and the condensed state are almost negligible.

机译：通过六氟磷酸四甲基铵电喷雾电离产生的三重离子[（CH3）（4）N +中心点PF6-中心点（CH3）（4）N +]的特征在于，通过碰撞诱导解离和质量选择物的红外光谱进行表征气态离子范围从1000到2000 cm（-1）。量子化学计算用于阐明三重离子及其亚基的结构和能量，并用于分配红外频率。在气相中观察到的红外波段与散装物质的红外波段非常接近，这表明对于这种特定类型的离子缔合，气相和冷凝态之间的结构差异几乎可以忽略不计。

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来源
《Chemical Physics Letters》 |2010年第3期|共5页
作者
Schroder D; Duchackova L; Jusinski I; Eckert-Maksic M; Heyda J; Tuma L; Jungwirth P;
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正文语种 eng
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triple ion; gas-phase; mass-selected;

机译：三重离子;气相;质量选择;

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1. Characterization of the triple ion [(CH3)(4)N+center dot PF6-center dot(CH3)(4)N+] in the gas-phase [J] . Schroder D, Duchackova L, Jusinski I, Chemical Physics Letters . 2010,第1a3期

机译：气相中三重离子[（CH3）（4）N +中心点PF6-中心点（CH3）（4）N +]的表征
2. CH4 loss from (CH3)(4)N+ revisited: how does this high energy elimination compete with (CH3)-C-center dot loss? [J] . Hudson CE, Griffin LL, McAdoo DJ European journal of mass spectrometry . 2004,第6期

机译：重新讨论了（CH3）（4）N +中的CH4损失：这种高能消除与（CH3）-C中心点损失如何竞争？
3. Intermolecular hydrogen bonds, rotational spectrum, and structure of van der Waals complexes of (CH3)(2)O center dot center dot center dot CF2=CH2 and (CH3)(2)O center dot center dot center dot CF2=CHF [J] . Tatamitani Y., Ogata T. Journal of Molecular Spectroscopy . 2003,第1期

机译：（CH3）（2）O中心点中心点中心点CF2 = CH2和（CH3）（2）O中心点中心点中心点CF2 = CHF的分子间氢键，旋转光谱和范德华配合物的结构
4. (CnH2n+1)2N(CH3)212Mo36(NO)4O108(H2O)16 (n = 12, 18), Synthesis and Characterization [C] . International symposium on solid state chemistry in China amp; 8th Chinese national conference on solid state chemistry and inorganic synthesis : Book of abstracts . 2002

机译：（CnH2n + 1）2N（CH3）2 12 Mo36（NO）4O108（H2O）16（n = 12，18），合成与表征
5. Reaction Chemistry of the Heavier Group 14 Carbene Analogues, M[Ar(Me6)]2, with Small Molecules Mediated by Synergistic Effects (M=Germanium, Tin; Ar(Me6)=C6H3-2,6-(C6H2-2,4,6-(CH3)3)2). [D] . Brown, Zachary Douglas. 2012

机译：重型14类羰基化合物M [Ar（Me6）] 2与小分子通过协同效应介导的反应化学（M =锗，锡; Ar（Me6）= C6H3-2,6-（C6H2-2,4 ，6-（CH3）3）2）。
6. Gas-Phase Basicity of (CH3)3N+-C6H4-COO− Zwitterions: A New Class of Organic Super Bases [O] . Eric F. Strittmatter, Richard L. Wong, Evan R. Williams* -1

机译：（CH3）3N + -C6H4-COO-两性离子的气相碱度：一类新的有机超级碱
7. Systematic Characterization of Gas Phase Binary Pre-Nucleation Complexes Containing H2SO4 + X, X = NH3 (CH3)NH2, (CH3)2NH, (CH3)3N, H2O, (CH3)OH, (CH3)2O, HF, CH3F, PH3, (CH3)PH2, (CH3)2PH, (CH3)3P, H2S, (CH3)SH, (CH3)2S, HCl, (CH3)Cl). A Computational Study [O] . -1

机译：系统表征含有H 2 SO 4 + X的气相二元预成核络合物，x = NH 3）NH 2，（CH 3）2NH，（CH 3）3N，H 2 O，（CH 3）OH，（CH 3）2O，HF，CH3F， PH3，（CH3）pH2，（CH3）2ph，（CH 3）3P，H 2 S，（CH 3）SH，（CH 3）2S，HCl，（CH 3）C1）。计算研究

Characterization of the triple ion [(CH3)(4)N+center dot PF6-center dot(CH3)(4)N+] in the gas-phase

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