Messenger-Tagging Electrosprayed Ions: Vibrational Spectroscopy of Suberate Dianions

Daniel J. Goebbert; Torsten Wende; Risshu Bergmann; Gerard Meijer; Knut R. Asmis

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Messenger-Tagging Electrosprayed Ions: Vibrational Spectroscopy of Suberate Dianions

机译：信使标记电喷雾离子：地下离子的振动光谱。

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The gas-phase vibrational spectroscopy of bare and monohydrated suberate dianions, -OOC-(CH2)6-COOand -OOC-(CH2)6-COO- ·H2O, is studied by infrared photodissociation aided by electronic structure calculations. To this end, the corresponding ion-Kr atom complexes are formed in a cooled buffer-gas-filled ion trap, and their infrared vibrational predissociation spectra are measured in the range from 660 to 3600 cm-1. The water molecule binds to one of the two carboxylate groups in a bidentate fashion, characterized by the splitting of the carboxylate stretching bands, a substantially blue-shifted water bending band, and the presence of anomalously broadened bands in the O-H stretching and H2O rocking region. The C-C backbone structure remains unperturbed by the addition of a water molecule or a Kr atom. At 63 K, the all-trans isomer is the most abundant species, but evidence for dynamically interconverting conformers is also present from contributions to the absorption cross section on the low-energy tail of the C-H stretching region.

机译：在电子结构计算的辅助下，通过红外光解研究了裸露的和一水合的辛酸二价阴离子-OOC-（CH2）6-COO和-OOC-（CH2）6-COO-·H2O的气相振动光谱。为此，在冷却的填充有缓冲气体的离子阱中形成相应的离子-Kr原子络合物，并在660至3600 cm-1的范围内测量其红外振动预离解光谱。水分子以二齿形式结合到两个羧酸根基团之一，其特征在于羧酸根的伸缩带断裂，水弯曲带明显蓝移以及在OH伸缩和H2O摇摆区中出现异常变宽的带。通过添加水分子或Kr原子，C-C主链结构保持不受干扰。在63 K处，全反式异构体是最丰富的物种，但对于C-H延伸区低能尾部的吸收截面的贡献，也存在动态相互转化构象异构体的证据。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2009年第20期|共7页
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Daniel J. Goebbert; Torsten Wende; Risshu Bergmann; Gerard Meijer; Knut R. Asmis;
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substantially blue-shifted; anomalously broadened; absorption cross section;

机译：蓝移;异常扩大;吸收截面;

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1. Messenger-Tagging Electrosprayed Ions: Vibrational Spectroscopy of Suberate Dianions [J] . Daniel J. Goebbert, Torsten Wende, Risshu Bergmann, The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2009,第20期

机译：信使标记电喷雾离子：地下离子的振动光谱。
2. Study of the lithiated phenylacetonitrile monoanions and dianions formed according to the lithiated base used (LHMDS, LDA, or n-BuLi). 2. Alkylation and deuteriation mechanism study by vibrational and NMR spectroscopy and quantum chemistry calculations [J] . Strzalko T., Wartski L., Corset J., The Journal of Organic Chemistry . 2012,第15期

机译：研究根据所用锂化碱（LHMDS，LDA或正丁基锂）形成的锂化苯基乙腈单阴离子和二价阴离子。 2.通过振动和NMR光谱以及量子化学计算研究烷基化和氘化机理
3. Vibrational spectroscopy of the hexahydrated sulfate dianion revisited: role of isomers and anharmonicities [J] . Knorke Harald, Li Huiyan, Liu Zhi-Feng, Physical chemistry chemical physics: PCCP . 2019,第22期

机译：六水硫酸盐Dianion的振动光谱重新审议：异构体和anharmonicities的作用
4. Gas-Phase Ion-Electron Reactions and Vibrational Activation of Electrosprayed Intact Proteins in Negative Ion Mode [C] . Hangtian Song, Kristina Hakansson American Society for Mass Spectrometry Conference on Mass Spectrometry and Allied Topics . 2009

机译：气相离子反应和负离子模式中电喷雾的完整蛋白的振动活化
5. Two-Dimensional Raman–Two-Dimensional Electronic Spectroscopy: From Isolating Ground–State Vibrational Coherences to Exciton–Phonon Spectroscopy of Quantum Dots [D] . Hutson, William Orin. 2018

机译：二维拉曼二维电子光谱：从隔离地面振动一致性到Quantum点的激子 - 声子光谱
6. Geometry determination of complexes in a molecular liquid mixture using Electron-Vibration-Vibration two-dimensional infrared spectroscopy with a vibrational transition density cube method [O] . Rui Guo, Shaul Mukamel, David R. Klug -1

机译：使用电子 - 振动 - 振动的二维红外光谱与振动跃迁密度立方体方法络合物的几何形状确定在一个分子液体混合物
7. Fourier Transform Infrared (FTIR) Spectroscopy, Attenuated Total Reflectance Fourier Transform Infrared (ATR–FTIR) Spectroscopy, Micro–Attenuated Total Reflectance Fourier Transform Infrared (Micro–ATR–FTIR) Spectroscopy, Macro–Attenuated Total Reflectance Fourier Transform Infrared (Macro–ATR–FTIR) Spectroscopy, Two–Dimensional Infrared Correlation Spectroscopy, Linear Two–Dimensional Infrared Spectroscopy, Non–Linear Two–Dimensional Infrared Spectroscopy, Atomic Force Microscopy Based Infrared (AFM–IR) Spectroscopy, Infrared Photodissociation Spectroscopy, Infrared Correlation Table Spectroscopy, Near–Infrared Spectroscopy (NIRS), Mid–Infrared Spectroscopy (MIRS), Nuclear Resonance Vibrational Spectroscopy, Thermal Infrared Spectroscopy and Photothermal Infrared Spectroscopy Comparative Study on Malignant and Benign Human Cancer Cells and Tissues under Synchrotron Radiation with the Passage of Time [O] . Alireza Heidari 2018

机译：傅里叶变换红外（FTIR）光谱，衰减总反射率傅里叶变换红外（ATR-FTIR）光谱，微衰减总反射率傅里叶变换红外（微ATR-FTIR）光谱，宏观衰减总反射率傅立叶变换红外（宏观 - ATR - ftir）光谱，二维红外相关光谱，线性二维红外光谱，非线性二维红外光谱，原子力显微镜的红外（AFM-IR）光谱，红外线光度分离光谱，红外相关表光谱，附近-Infarred光谱学（NIRS），中红外光谱（MIR），核共振振动光谱，热红外光谱和光热红外光谱比较对比较的恶性和良性人体癌细胞和组织在时滞辐射下的时间流逝
8. Physical and Chemical Properties of Squarate Complexes. 2. Moessbauer Spectroscopy and Magnetic Susceptibility Studies of Several Dimeric and Trimeric Iron (III) Complexes Containing the Squarate Dianion. [R] . Wrobleski, J. T., Brown, D. B. 1979

机译：squarate Complexes的物理和化学性质。 2.含有方酸二价阴离子的几种二聚和三聚铁（III）配合物的moessbauer光谱和磁化率研究。

Messenger-Tagging Electrosprayed Ions: Vibrational Spectroscopy of Suberate Dianions

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