正文
论文基本信息
【题目】Communication: Structural locking mediated by a water wire: A high-resolution rotational spectroscopy study on hydrated forms of a chiral biphenyl derivative
【作者】Sérgio R. Domingos et al.
【刊期】The Journal of Chemical Physics 145, 161103 (2016)
【日期】2016.10
【DOI】10.1063/1.4966584
【摘要】We report the observation of structural changes in an axially chiral molecule, biphenyl-2-carboxaldehyde, due to aggregation with water. Using high-resolution broadband rotational spectroscopy we find that two water molecules link opposite sides of the molecule, resembling a water wire. We show that this effect can be explained by a cooperative rearrangement of both molecule and a water dimer. Hydrogen bonding interactions are shown to change the original structure upon aggregation of water. This phenomenon is insightful on the role of microsolvation in assisting structural morphing of stereo-selective chiral molecular systems.
【链接】http://aip.scitation.org/doi/abs/10.1063/1.4966584
【题目】Water-Induced Structural Changes in Crown Ethers from Broadband Rotational Spectroscopy
【作者】Cristóbal Pérez et al.
【刊期】J. Phys. Chem. Lett., 2016, 7 (20)
【日期】2016.9.27
【DOI】 10.1021/acs.jpclett.6b01939
【摘要】The complexes of 12-crown-4 ether (12C4) with water, generated in a supersonic jet, have been studied using broadband Fourier transform microwave spectroscopy. Three 1:1 and one 1:2 clusters have been observed and their structures unambiguously identified through the observation of isotopologue spectra. The structures of the clusters are based on networks of O–H···O and C–H···O hydrogen bonds. The most abundant 1:1 cluster is formed from the most stable S4 symmetry conformer of 12C4, even though it is not the energetically favored water complex. Interestingly, the structures of the most stable water cluster and the other remaining observed 1:1 and 1:2 complexes are formed from the second or the fifth most abundant conformers of 12C4. This shows the existence of a mechanism that changes the conformation of 12C4 so that the host–guest interactions can be maximized, even for a “soft” ligand like water.
【链接】http://pubs.acs.org/doi/abs/10.1021/acs.jpclett.6b01939
阅读更多
