Benzoic similarity matrices

Hence, the double-proton transfer was assumed to proceed via a concerted mechanism, with the one-dimensional kinetic-energy matrix appropriate to one particle of twice the proton mass. A similar model is widely used to analyze the vibrations of cyclic hydrogen-bonded dimers (for example, see Ref. [59]). The O -O coordinate in this case symbolizes the intermolecular stretching of a doubly H-bonded system. The problem of the double-proton transfer for the benzoic acid dimer is thereby reduced to a problem conceptually similar to that for a single O -H -O entity except for the denoted light atom mass and consequences of the asymmetric 2D PES. 

The loss of 44 5 uma was also observed in the mass spectrum of poly-BFl synthesized by anionic polymerization with PhLi as the initiator (Fig. 39), recorded using the dithranol as matrix. In this case, the difference between the two most intense peaks belonging to each cluster is about 77 Da, suggesting that the most intense peaks correspond to the macromolecular chains terminated with a phenyl group (Ph) at one end, as expected since PhLi was used as initiator [23]. Since very similar mass spectra were recorded using other matrices, such as CHCA (a-cyano-4-hydroxycinnamic acid), DCTB [tra/25-2-[3-(4-t rt-butylphenyl)-2-methyl-2-pro-penylidene]malononitrile], and HABA [2-(4-hydroxylphenylazo)benzoic acid], the question about the loss of a compound with a mass 44 5 requires appropriate investigations by means of post-source decay (PSD) and CID (collision induced dissociation) MALDI-TOF/TOF tandem mass spectrometry methods. 

---