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单击此处编辑母版标题样式,单击此处编辑母版文本样式,第二级,第三级,第四级,第五级,*,水分子簇微观结构研究进展,水分子簇微观结构研究进展,Outline,水分子簇研究背景,水分子簇研究现状,前景展望,Outline 水分子簇研究背景,Outline,水分子簇研究背景,水分子簇研究现状,前景展望,Outline 水分子簇研究背景,Water,water everywhere,Water,water everywhere,Mysteries of water cluster,N.Mikami,Science,2004,304,1134-1137,O,H,Mysteries of water clusterN.M,Thanks H-bonds,K.Liu,Science,1996,929-993,76,373,273,有,H-bonds,水,76,188,163,没有,H-bonds,水,热容,(J/mol.k),沸点,熔点,(k),(k),Thanks H-bondsK.Liu,Science,Research method,红外光谱法,:,Liu K,Science,1996,271:929,X,射线方法,：,C.A.Tulk,Science,2002,297:,1320,量子化学计算,:,K.D.Jordan,，,J.Phy.Chem.,1993,97:5208,Research method 红外光谱法:Liu,水分子簇研究进展,水分子簇研究进展,Sub-structures of water cluster,M.F.Chaplin,Nature Reviews Molecular Cell Biology,O,H,Sub-structures of water cluste,Sub-structures of water cluster,Yan Zubavicus,science,2004,304,974,Lone pair electrons,H,H,五角十二面体,水四面体电荷分布,五元环键角为,108,水键角为,104.5,匹配,5,12,稳定,Sub-structures of water cluste,Protonated water clusters,Mak T C W,Zhou GD.Crystallography in Modern Chemistry:,A Resource Book of Crystal Structures,New York:Wiley,1992,HNO,3,3H,2,O (H,7,O,3,)NO,3,(H,3,O)NO,3,2H,2,O,HSbCl,6,3H,2,O (H,7,O,3,)SbCl,6,(H,5,O,2,)SbCl6H,2,O,HCl,3H,2,O (H,7,O,3,)Cl (H,5,O,2,)Cl,H,2,O,酸的水合物,经验化学式,结构式,Protonated water clustersMak,Protonated water clusters,Outer hydration shell,Inner hydration shell,Bulk water,+,(ordered),J.-W.Shin,science,2004,304,1137,Protonated water clustersOute,Protonated water clusters,D.M.Neumark,J.Chem.Phys.2006,125,171102,O;,H,；,H-bonds,Protonated water clustersD.M.,CH,4,-water clusters,8CH,4,46H,2,O 5,12,周公度,大学化学,2002,17,54,5,12,6,2,K.D.Jordan,Science,2005,308,1765,蓝色紫色,5,12,6,2,，,黄色,5,12,CH4-water clusters蓝色紫色 5126,Buck U,Huisken F.Chem Rev,.,2000,100:3863,2 5,12,(1/2,1/2,1/2),(0,0,0),6 5,12,6,2,(1/4,/1/2,0),(3/4,1/2,0),晶胞化学式,晶系,晶胞参数,/pm CH,4,所处多面体,8CH,4,46H,2,O,立方,1180 2 5,12,6 5,12,6,2,8CH,4,46H,2,O,在,273k,，,30,大气压下形成冰状晶体,-,可燃冰,1m,3,可燃冰,理论含,182m,3,，实际,164m,3,CH,4,CH,4,-water clusters,Buck U,Huisken F.Chem Rev.,CH,4,-water clusters,机遇：,可用千年,清洁能源,挑战：,开采困难,温室灾难,第,28,届国际地质大会，,2006,CH4-water clusters机遇：可用千年第28,H.Sato,，,Chem.Phys.Lett.2006,323,412,CO,2,-water cluster,O(H,2,O),H,C,O(CO,2,),CO,2,CO,在水中溶解度,H.Sato，Chem.Phys.Lett.2006,Water clusters in biochemistry,William Royer,Ph.Dbiochemistry and molecular pharmacology,血红蛋白,CO-,血红蛋白,蛋白质子结构,水分子簇,Water clusters in biochemistry,Water clusters in biochemistry,H,2,O,，,O,2,，,CO,F97,T72,T72,F97,T72,T72,F97,F97,CO-,血红蛋白,血红蛋白,William Royer,Ph.Dbiochemistry and molecular pharmacology,Water clusters in biochemistry,Prospect,水分子团簇研究从一全新角度审视化学，生命科学乃至气象学,甲烷水合物的研究开采是一把双刃剑,探测手段匮乏，阻碍研究的进一步开展,C.A.Tulk et al.,Science,2002,297,1320,Prospect水分子团簇研究从一全新角度审视化学，生命科学,
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