UV photodissociation of α-alanine was studied by parahydrogen matrix isolation infrared spectroscopy. The temporal behavior of Fourier transform infrared spectra revealed that UV irradiation at 213 nm yielded the HOCO radical as a direct photoproduct from the S 2 excited state. The concentration of HOCO quickly approached a steady state due to secondary photodissociation of HOCO to produce CO 2 + H or CO + OH. On the other hand, no photoproducts were detected by S 1 excitation at 266 nm. Irradiation of fully deuterated α-alanine at 213 nm yielded ∼2 times more cis-DOCO radicals than the lower energy isomer trans-DOCO, indicating that the conformation of the hydroxyl group is fairly well-preserved upon photodissociation of α-alanine. The present study suggests that HOCO may be a good tracer species in the search for amino acids in interstellar space.

Amino acids are the building blocks of proteins, and their detection in outer space thus has implications on the origin of life. They form a zwitterionic structure in aqueous environments while adopting a neutral configuration in the gas phase. We perform an experimental and computational study on the number of water molecules needed for zwitterion formation of β-alanine. Our density functional theory investigation reveals that a minimum of five water molecules are required to form and stabilize the zwitterion. A characteristic connecting water molecule located between the COO– and NH3 + groups is found to enhance the stability. This water molecule is also involved in a characteristic infrared active vibration at ≈1560 cm–1, which is slightly shifted with the number of surrounding water molecules and is located in a spectral region outside of water vibrations. A corresponding infrared signal is found in high-resolution experimental spectra of β-alanine and water in a solid para-hydrogen matrix.

Samples of H2O, HDO, and D2O were isolated in solid parahydrogen (pH2) matrices and irradiated by vacuum ultraviolet (VUV) radiation at 147 nm. Fourier-Transform Infrared (FTIR) spectra showed a clear...

With the use of solid parahydrogen in matrix isolation spectroscopy becoming more commonplace over the past few decades, it is increasingly important to understand the behavior of molecules isolated in this solid. The mobility of molecules in solid parahydrogen can play an important role in the dynamics of the system. Water molecules embedded in solid parahydrogen as deposited were found to be mobile at 4.0 K on the time scale of a few days. The diffusion at this temperature must be due to quantum tunneling in solid parahydrogen. The diffusion dynamics were analyzed based on the theory of nucleation. The concentration dependence on the diffusion rate indicates that there might be correlated motion of water molecules, a signature of quantum diffusion. We find that both water monomers and water dimers migrate in solid parahydrogen and provide insight into the behavior of molecules embedded in this quantum crystal.