Department of Chemistry and Biochemistry, CIRES, University of Colorado, Boulder, Colorado 80309-0215, USA.
J Chem Phys. 2011 Jul 14;135(2):020901. doi: 10.1063/1.3608919.
The importance of water in atmospheric and environmental chemistry initiated recent studies with results documenting catalysis, suppression and anti-catalysis of thermal and photochemical reactions due to hydrogen bonding of reagents with water. Water, even one water molecule in binary complexes, has been shown by quantum chemistry to stabilize the transition state and lower its energy. However, new results underscore the need to evaluate the relative competing rates between reaction and dissipation to elucidate the role of water in chemistry. Water clusters have been used successfully as models for reactions in gas-phase, in aqueous condensed phases and at aqueous surfaces. Opportunities for experimental and theoretical chemical physics to make fundamental new discoveries abound. Work in this field is timely given the importance of water in atmospheric and environmental chemistry.
水在大气和环境化学中的重要性促使人们开展了最近的研究，研究结果记录了由于试剂与水的氢键而导致的热和光化学反应的催化、抑制和反催化作用。通过量子化学已经表明，即使在二元配合物中只有一个水分子，也可以稳定过渡态并降低其能量。然而，新的结果强调需要评估反应和耗散之间的相对竞争速率，以阐明水在化学中的作用。水团簇已成功用作气相、水相凝聚相和水相表面反应的模型。实验和理论化学物理有很多机会做出基础性的新发现。鉴于水在大气和环境化学中的重要性，该领域的工作具有及时性。
