Alkali Metal Cations Bonding to Carboxylate Anions: Studies using Mass Spectrometry and Quantum Chemical Calculations

2020 ◽  
Vol 124 (22) ◽  
pp. 4390-4399
Author(s):  
C. Mayeux ◽  
P. Burk ◽  
J.-F. Gal ◽  
I. Leito ◽  
L. Massi
Keyword(s):  
Mass Spectrometry ◽  
Alkali Metal ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Metal Cations ◽  
Alkali Metal Cations ◽  
Carboxylate Anions

Mass Spectrometric Behaviour of Carboxylated Polyethylene Glycols and Carboxylated Octylphenol Ethoxylates

2003 ◽  
Vol 9 (3) ◽  
pp. 165-173 ◽  
Author(s):  
Magdalena Frańska ◽  
Agnieszka Zgoła ◽  
Joanna Rychłowska ◽  
Andrzej Szymański ◽  
Zenon Łukaszewski ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Alkali Metal ◽  
Mass Spectra ◽  
Secondary Ion Mass Spectrometry ◽  
Metal Cations ◽  
Mass Spectrometric ◽  
Polyethylene Glycols ◽  
Alkali Metal Cations ◽  
Secondary Ion

The mass spectrometric behaviour of mono- and di-carboxylated polyethylene glycols (PEGCs and CPEGCs) and carboxylated octylphenol ethoxylates (OPECs) is discussed. The tendency for ionisation (deprotonation, protonation and cationisation by alkali–metal cations) of carboxylated PEGs was compared with that of non-carboxylated analogues by using both secondary-ion mass spectrometry (SIMS) and electrospray ionisation (ESI). The fragmentation of the PEGCs and CPEGCs is discussed and also compared with their neutral analogues, PEGs. B/E linked-scan mass spectra were recorded, using secondary-ion mass spectrometry as a method for ion generation, for deprotonated and protonated molecules as well as for molecules cationised by alkali–metal cations. The fragmentation behaviour of PEGs is found to be different from that of CPEGCs, The presence of carboxyl groups may be confirmed not only by the determination of molecular weights of the ethoxylates studied, but also on the basis of the fragment ions formed. The metastable decomposition of the [OPEC-H]− ions proceeds through the cleavage of the bond between the octylphenol moiety and the ethoxylene chain and leads to the octylphenoxyl anions. It permits determination of the mass of the hydrophobic moiety of the studied carboxylated alkylphenol ethoxylate. ESI mass spectra recorded in the negative-ion mode were found to be more suitable than SI mass spectra for the determination of the average molecular weight of carboxylated ethoxylates.

Mass Spectrometric Investigation of Protonated and Cationized Molecules of Oxaalkyl Phosphates

2002 ◽  
Vol 8 (6) ◽  
pp. 451-460 ◽  
Author(s):  
Natalya Lyapchenko ◽  
Rafał Frański ◽  
Grzegorz Schroeder
Keyword(s):  
Mass Spectrometry ◽  
Alkali Metal ◽  
Secondary Ion Mass Spectrometry ◽  
Metal Cations ◽  
Mass Spectrometric ◽  
Alkali Metal Cations ◽  
Ionisation Mass Spectrometry ◽  
Mass Spectrometric Fragmentation ◽  
Protonated Molecules ◽  
Secondary Ion

Mass spectrometric fragmentation pathways of protonated molecules of oxaalkyl phosphates and their complexes with alkali metal cations are discussed in this paper. Liquid secondary ion mass spectrometry (LSIMS) was used as the ionisation technique and mass spectra from B/E linked scans were registered to elucidate the mass spectrometric decomposition of the studied ions. Mainly loss of the ether molecules H2C=HCOCH3 and HOH2C–H2COCH3 was observed. The elimination of neutrals containing metal, for example, K-CH2CH2OCH3 or KOCH2CH2OCH3 also occurred. In the case of phosphate (III) an unusual loss of two CH3CH2OCH3 molecules and a Li or Na atom was observed. Electrospray ionisation mass spectrometry (ESIMS) was applied in order to check the ability of the studied tripodands to form complexes with alkali metal cations.

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