Infrared multiple-photon photodissociation of gas-phase group II metal-nitrate anions

Myers, Linda; Dain, Ryan P.; Leavitt, Chris; Pham, V.H.; Gresham, Garold L.; Groenewold, Gary S.; Stipdonk, Michael Van

doi:10.1016/j.ijms.2008.02.013

Cited by 15 publications

(18 citation statements)

References 31 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Previously established methods are used for generation of ions and the subsequent collection of IRMPD spectra [14,17]. Briefly, group II metal nitrate solutions are generated by dissolving the appropriate salt in water to produce primary standards each having a concentration of 10 mM, which are then further diluted with methanol in a 1:5 ratio.…”

Section: Esi Ft-icr Mass Spectrometrymentioning

confidence: 99%

“…All DFT calculations are performed using the Gaussian 03 program, employing an approach similar to the one used in our previous group II nitrate study [17,[23][24][25][26][27][28][29] [26 -29] and associated basis on the cation. To avoid bias, initial geometry optimizations were begun with nitrate and metal ion separated and randomly oriented, and the respective species were allowed to approach and find equilibrium positions as a result of the optimization process.…”

Section: Dft Geometry and Frequency Calculationsmentioning

confidence: 99%

“…Previous studies have shown that the splitting of the 3 (⌬ 3 ) is proportional to the interaction strength between the metal and the nitrate ligands [15,16]. In the uranyl and europium nitrate anions, ⌬ 3 was found to be 264 cm -1 and 273 cm -1 respectively [14].In a later study, IRMPD spectroscopy was used to record vibrational spectra of anionic group II metal nitrate complexes of the formula [M(NO 3 ) 3 ] -where M ϭ Mg 2ϩ , Ca 2ϩ , Sr 2ϩ , and Ba 2ϩ [17]. By observing differences in the magnitude of ⌬ 3 , it was possible to correlate the polarizing power to the bond strength between the cation and the nitrate ligands.…”

mentioning

confidence: 99%

“…In a later study, IRMPD spectroscopy was used to record vibrational spectra of anionic group II metal nitrate complexes of the formula [M(NO 3 ) 3 ] -where M ϭ Mg 2ϩ , Ca 2ϩ , Sr 2ϩ , and Ba 2ϩ [17]. By observing differences in the magnitude of ⌬ 3 , it was possible to correlate the polarizing power to the bond strength between the cation and the nitrate ligands.…”

mentioning

confidence: 99%

“…The larger group II nitrate clusters are investigated to gauge the effect of multiple metal centers on the position and degeneracy splitting of the antisymmetric nitrate stretch, and to compare the general values of 3 to those measured for the small, single cation species [17]. Exploration of cluster ions in the gas phase is an effective way to study the properties of nano-sized particles of matter, and in particular the transition from discrete atoms and molecules to bulk liquids and solids.…”

mentioning

confidence: 99%

See 4 more Smart Citations

IRMPD spectroscopy of anionic group II metal nitrate cluster ions

Leavitt

Dain

Steill

et al. 2009

J. Am. Soc. Mass Spectrom.

Self Cite

View full text Add to dashboard Cite

Anionic group II metal nitrate clusters of the formula [M 2 (NO 3 ) 5 ] -, where M 2 ϭ Mg 2 , MgCa, Ca 2 , and Sr 2 , are investigated by infrared multiple photon dissociation (IRMPD) spectroscopy to obtain vibrational spectra in the mid-IR region. The IR spectra are dominated by the symmetric and the antisymmetric nitrate stretches, with the latter split into high and low-frequency components due to the distortion of nitrate anion symmetry by interactions with the cation. Density functional theory (DFT) is used to predict geometries and vibrational spectra for comparison to the experimental spectra. Calculations yield two stable isomers: the first one contains two terminal nitrate anions on each cation and a single bridging nitrate ("mono-bridging"), while the second structure features a single terminal nitrate on each cation with three bridging nitrate ligands ("tri-bridging"). The tri-bridging isomer is calculated to be lower in energy than the mono-bridging one for all species. Theoretical spectra of the tri-bridging structure provide a better qualitative match to the experimental infrared spectra of T he combination of ion-trapping mass spectrometers and free-electron lasers tunable through the mid-infrared region of the electromagnetic spectrum have provided invaluable access to the vibrational spectra of discrete, gas-phase metal complexes [1][2][3][4][5][6][7][8][9][10]. It is generally difficult to acquire a conventional linear absorption spectrum of species commonly investigated by mass spectrometry because of the low ion concentrations. However, use of an action spectroscopy approach allows photon absorption to be monitored by measuring fragmentation yields that result from wavelength-specific infrared multiple-photon dissociation (IRMPD) [11][12][13].Using the uranyl (UO 2 2ϩ ) and the europium (Eu 3ϩ ) cations, our group produced the first vibrational spectra of gas-phase metal nitrate anions of the formula [UO 2 (NO 3 ) 3 ] -and [Eu(NO 3 ) 4 ] - [14]. These experiments were carried out at the FOM Institute for Plasma Physics in Nieuwegein, The Netherlands, using the free electron laser for infrared experiments (FELIX). FELIX provides a tunable, high-intensity beam of photons across the mid-IR range to a high-resolution mass spectrometer. The IRMPD spectra of both the uranyl and europium nitrate anions are dominated by the antisymmetric nitrate stretch ( 3 ), which is split into low and high-frequency components corresponding to the O-N-O (O-atoms involved in bonding with the metal), and (non-coordinating) NϭO stretches respectively. Previous studies have shown that the splitting of the 3 (⌬ 3 ) is proportional to the interaction strength between the metal and the nitrate ligands [15,16]. In the uranyl and europium nitrate anions, ⌬ 3 was found to be 264 cm -1 and 273 cm -1 respectively [14].In a later study, IRMPD spectroscopy was used to record vibrational spectra of anionic group II metal nitrate complexes of the formula [M(NO 3 ) 3 ] -where M ϭ Mg 2ϩ , Ca 2ϩ , Sr 2ϩ , and Ba 2ϩ [17]. By observ...

show abstract

Section: Esi Ft-icr Mass Spectrometrymentioning

confidence: 99%

Section: Dft Geometry and Frequency Calculationsmentioning

confidence: 99%

mentioning

confidence: 99%

mentioning

confidence: 99%

mentioning

confidence: 99%

See 3 more Smart Citations

IRMPD spectroscopy of anionic group II metal nitrate cluster ions

Leavitt

Dain

Steill

et al. 2009

J. Am. Soc. Mass Spectrom.

Self Cite

View full text Add to dashboard Cite

show abstract

Current literature in mass spectrometry

2008

J. Mass Spectrom.

View full text Add to dashboard Cite

In order to keep subscribers up‐to‐date with the latest developments in their field, John Wiley & Sons are providing a current awareness service in each issue of the journal. The bibliography contains newly published material in the field of mass spectrometry. Each bibliography is divided into 11 sections: 1 Reviews; 2 Instrumental Techniques & Methods; 3 Gas Phase Ion Chemistry; 4 Biology/Biochemistry: Amino Acids, Peptides & Proteins; Carbohydrates; Lipids; Nucleic Acids; 5 Pharmacology/Toxicology; 6 Natural Products; 7 Analysis of Organic Compounds; 8 Analysis of Inorganics/Organometallics; 9 Surface Analysis; 10 Environmental Analysis; 11 Elemental Analysis. Within each section, articles are listed in alphabetical order with respect to author (4 Weeks journals ‐ Search completed at 27th. Aug. 2008)

show abstract

Structures, energetics, and dynamics of gas phase ions studied by FTICR and HPMS

McMahon

2009

Mass Spectrometry Reviews

View full text Add to dashboard Cite

Both Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) and high-pressure mass spectrometry (HPMS) are very powerful tools in the field of gas phase ion chemistry. Many experimental method developments based on FTICR-MS and HPMS are summarized, including the coupling of a high-pressure external ion source to a FTICR mass spectrometer, blackbody infrared radiative dissociation (BIRD), coupling laser desorption ionization with HPMS, infrared multiple photon dissociation (IRMPD), radiative association and bimolecular routes to gas phase cluster ion formation. An abundance of thermochemical data, such as proton affinities, gas phase acidities, methyl cation affinities and metal cation affinities, have been obtained. Some of these data are the basis of the standard data listed in the NIST thermochemical databases. Ion-molecule interactions, energetics, reactivities, and structures of molecules have been extensively investigated using the methods developed based on HPMS and FTICR mass spectrometric techniques.

show abstract

Infrared multiple-photon photodissociation of gas-phase group II metal-nitrate anions

Cited by 15 publications

References 31 publications

IRMPD spectroscopy of anionic group II metal nitrate cluster ions

IRMPD spectroscopy of anionic group II metal nitrate cluster ions

Current literature in mass spectrometry

Structures, energetics, and dynamics of gas phase ions studied by FTICR and HPMS

Contact Info

Product

Resources

About