水自由基阳离子化学的研究进展

Progress in Chemical Research of Water Radical Cations

对水自由基阳离子及其团簇离子((H_(2)O)_(n)^(+·))反应的研究可更好地理解某些自然过程的机制,如水溶液中的质子转移、氢键形成、DNA等生物大分子的破坏以及发现新的气相反应和产物.此外,(H_(2)O)_(n)^(+·)在放射生物学中以及作为初级反应离子在选择性电离和提高分析灵敏度等分析领域均具有广阔的应用前景.目前,质子化水团簇和水合电子成键及结构研究较多,但对具有超高的反应活性和极短寿命的(H_(2)O)_(n)^(+·)的分离和理化性质研究较少.近期,质谱技术、分子光谱-质谱联合技术和高精度量子化学理论计算发展迅速,基于此综述有关(H_(2)O)_(n)^(+·)的形成方法与产生机制、结构理论模拟与实验验证、化学性质分析以及应用研究等方面的进展.

The studies of reactions involving water radical cations and their cluster ion((H_(2)O)_(n)^(+·))can better understand the mechanisms of certain natural processes,such as proton transfer in aqueous solutions,the formation of hydrogen bonds,the destruction of bio-molecules such as DNA,and the discovery of novel gas phase reactions and products.In addition,the potential of water radical cations in radio-biology have broad application prospects and its use as a primary reactive ion have attracted much attention for efficient selective chemical ionization as well as improving the analytical sensitivity.At present,there are many studies on the bonding properties and structure of protonated water clusters and hydrated electrons,but there are few studies on the isolation and physicochemical properties of(H_(2)O)_(n)^(+·) due to their ultra-high reaction activity and extremely short lifetime.Since significant progress has been made in the technology of mass spectroscopy,molecular spectrometry and high-precision theoretical calculation of quantum chemistry,we review the current knowledge of(H_(2)O)_(n)^(+·),including the formation methods and generation mechanisms,structural theoretical simulation and experimental verification,chemical property analysis,and their application research.