Experimental and theoretical investigations show that hydroxyl migration leads to unexpected fragmentation dynamics of β-alanine dication in the gas phase.
The gas phase spectrum of N2H2 has been investigated in the region of 7.6 μm at a resolution of about 0.06cm−1. Two bands have been identified; one, near 1288 cm−1, is a type C band and must correspond to ν4 (the hitherto unidentified Au torsional mode), and the other, near 1317 cm−1, is a type A–B hybrid and corresponds to ν6 (the Bu bending mode). Analysis of the spectrum is complicated by the simultaneous presence of strong A-type and B-type Coriolis interactions which couple the observed levels.
Infrared and Raman spectra have been measured for spiropentane-H8. Raman spectra for the liquid have enabled the b1 species ring twist to be assigned. Previous assignments of this mode were based on calorimetric data and on the assignment of a band in the infrared spectrum to a combination band involving the ring twist mode. Infrared spectra of low temperature crystalline films have provided sufficient information that, when taken with the Raman data and gas phase infrared spectra, we have assignments for all of the fundamental modes.
The issue of self-aggregation of oxaliplatin in water as well as in the gas phase is investigated analytically and analyzed by state-of-the-art DFT-D methods.
Unusual hydroxyl migration in the fragmentation of β-alanine dication in the gas phase