Ni+ reactions with aminoacetonitrile, a potential prebiological precursor of glycine

Details Ni+ reactions with aminoacetonitrile, a potential prebiological precursor of glycine Ni+ reactions with aminoacetonitrile, a potential prebiological precursor of glycine

2008-02-28

arxiv.org/abs/0802.4180v1

Journal of Mass Spectrometry 43 (2008) 317-326

Physics

Chemical Physics

Scientific paper

The gas-phase reactions between Ni+ (2D5/2) and aminoacetonitrile, a molecule of prebiological interest as possible precursor of glycine, have been investigated by means of mass spectrometry techniques. The mass-analyzed ion kinetic energy (MIKE) spectrum reveals that the adduct ions [NCCH2NH2, Ni+] spontaneously decompose by loosing HCN, H2, and H2CNH, the loss of hydrogen cyanide being clearly dominant. The structures and bonding characteristics of the aminoacetonitrile-Ni+ complexes as well as the different stationary points of the corresponding potential energy surface (PES) have been theoretically studied by density functional theory (DFT) calculations carried out at B3LYP/6-311G(d,p) level. A cyclic intermediate, in which Ni+ is bisligated to the cyano and the amino group, plays an important role in the unimolecular reactivity of these ions, because it is the precursor for the observed losses of HCN and H2CNH. In all mechanisms associated with the loss of H2, the metal acts as hydrogen carrier favoring the formation of the H2 molecule. The estimated bond dissociation energy of aminoacetonitrile-Ni+ complexes (291 kJ mol-1) is larger than those measured for other nitrogen bases such as pyridine or pyrimidine and only slightly smaller than that of adenine.

Affiliated with

Also associated with

No associations

Rating

Ni+ reactions with aminoacetonitrile, a potential prebiological precursor of glycine does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Ni+ reactions with aminoacetonitrile, a potential prebiological precursor of glycine, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Ni+ reactions with aminoacetonitrile, a potential prebiological precursor of glycine will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-471742