罗一 （大连理工大学，教授，博士生导师）

个人简介

工作经历

2008.11—2009.03，日本东北大学未来科学技术共同研究中心，讲师

2006.11—2008.10，日本学术振兴会（JSPS），外国人特别研究员

2004.04—2006.10，日本理化学研究所，基础科学特别研究员

2000.07—2001.03，日本东北大学研究生院进修

1996.07—2000.07，中国石油天然气集团公司兰州石化研究院，研究工程师

教育经历

2001.04—2004.03，日本东北大学材料化学系，工学博士

1993.09—1996.07，西北师范大学，应用化学，硕士

1989.09—2003.07，湖北师范学院，化学教育，学士

社会兼职

曾担任 J. Am. Chem. Soc., J. Phys. Chem., Organometallics, RSC Advances, ACS Catalysis, Sci. Chin. Chem.，《环境安全学报》等杂志的审稿人。

研究领域（研究课题）

通过理论与实验相结合，研究金属有机配合物的结构及其相关反应机制，在探明结构与性能关系的基础上，进行高效催化剂等材料的分子设计。研究体系所涉及的领域包括催化、高分子材料、环境、新能源和新药物研发等。

承担的科研项目包括国家自然科学基金面上项目(21174023)、重点项目(21137001)、海外及港澳学者合作项目(21028001; 21429201)、教育部留学回国人员科研基金项目([2010]1561)、高校基本科研业务费重大培育项目以及来自大型国有企业的合作项目等。

招收应用化学、物理化学、高分子化学专业、制药工程专业的博士研究生、硕士研究生以及博士后研究员。热情欢迎崇尚科学、团结协作、志在创新的有机化学、金属有机化学、催化化学、材料化学等专业优秀人才加盟本研究室学习深造、开展合作研究。

硕博研究方向

1、理论与实验相结合

（1）金属有机配合物活化惰性小分子的反应机制与新催化剂的分子设计

（2）金属有机配合物催化合成生物可降解聚合物、聚烯烃等的反应机制与高效聚合催化剂的设计与开发

（3）多核稀土和过渡金属氢化物的协同反应机制

（4）金属配合物药理作用的理论探讨

（5）绿色润滑剂的分子设计、合成及其应用

2、分子动力学模拟在石油化工中的应用

出版著作和论文

已在国际顶尖杂志Science、Nature Chem.、J. Am. Chem. Soc.和Angew. Chem. Int. Ed.等期刊上共发表SCI检索论文60余篇。

Work Done in Dalian University of Technology

(64) Yuesheng Liu, Lun Luo, Jie Xiao, Lei Wang, You Song，Jingping Qu, Yi Luo*, Liang Deng*, “Four-Coordinate Iron(II) Diaryl Compounds with Monodentate N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Their Tetrahedral-Square Planar Isomerization in Solution” Inorg. Chem. 2015, 54, 4752?4760.

(63) Gen Luo, Yi Luo*, Jingping Qu, and Zhaomin Hou*, “Mechanistic Insights into the Methylenation of Ketone by a Trinuclear Rare-Earth-Metal Methylidene Complex” Organometallics 2015, 34, 366–372.

(62) Wen-Zhen Zhang,* Ling-Long Shi, Chuang Liu, Xu-Tong Yang, Yan-Bo Wang, Yi Luo and Xiao-Bing Lu*, “Sequential carboxylation/intramolecular cyclization reaction of o-alkynyl acetophenone with CO2” Org. Chem. Front. 2014, 1, 275–283.

(61) Peng-Fei Zhuang, Lun Luo, Tao Liu*, Yi Luo, Xian-Hui Xie, Hui Zheng, Liang Zhao, Cheng-Qi Jiao, Jun-Li Wang, Ji-Xiang Hu, Cheng He, Chun-Ying Duan, “Cyano-bridged Fe2Cu clusters: Control of magnetic properties through cis–trans arrangement” Inorg. Chem. Commun. 2014, 48, 8–11.

(60) Yuhan Zhou *, Dongmei Yang, Gen Luo, Yilong Zhao, Yi Luo*, Na Xue, Jingping Qu, “Highly selective trifluoroacetic ester/ketone metathesis: an efficient approach to trifluoromethyl ketones and esters” Tetrahedron 2014, 70, 4668?4674.

(59) Bo Liu, Xingbao Wang, Yupeng Pan, Fei Lin, Chunji Wu, Jingping Qu, Yi Luo*, Dongmei Cui* “Unprecedented 3,4-Isoprene and cis-1,4-Butadiene Copolymers with Controlled Sequence Distribution by Single Yttrium Cationic Species” Macromolecules 2014, 47, 8524–8530.

(58) Zhongping Tang, Qingwei Kong, Yi Luo*, Weiguo Xue, Jingping Qu, Hua Chen*, Xisheng Fu “Theoretical studies on the structure and property of alkylated dipenylamine antioxidants” J. Theor. Comput. Chem. 2014, 13, 1450035-1–1450035-17

(57) Xiaohui Kang, Yi Luo*, Guangli Zhou, Xingbao Wang, Xuerong Yu, Zhaomin Hou, and Jingping Qu “Theoretical Mechanistic Studies on the trans-1,4-Specific Polymerization of Isoprene Catalyzed by a Cationic La–Al Binuclear Complex” Macromolecules 2014, 47, 4596–4606.

(56) Gen Luo, Yi Luo*, Satoshi Maeda, Jingping Qu, Zhaomin Hou, and Koichi Ohno* “Theoretical Mechanistic Studies on Methyltrioxorhenium-Catalyzed Olefin Cyclopropanation: Stepwise Transfer of a Terminal Methylene Group” Organometallics 2014, 33, 3840–3846.

(55) Chuang Liu, Yi Luo*, Wenzhen Zhang*, Jingping Qu, Xiaobing Lu “DFT Studies on the Silver-Catalyzed Carboxylation of Terminal Alkynes with CO2: An Insight into the Catalytically Active Species” Organometallics 2014, 33, 2984–2989.

(54) Xiaowei Jiao, Hang Yu, Qingwei Kong, Yi Luo*, Qiang Chen*, Jingping Qu* “Theoretical mechanistic studies on the degradation of alizarin yellow R initiated by hydroxyl radical” J. Phys. Org. Chem. 2014, 27, 519–526.

(53) Gen Luo, Yi Luo,* Wenxiong Zhang, Jingping Qu, Zhaomin Hou* “DFT Studies on Methane Elimination Reaction of a Trinuclear Rare-Earth Polymethyl Complex: Sigma-Bond Metathesis Assisted by Cooperation of Multi-Metal Sites” Organometallics 2014, 33, 1126–1134.

(52) Wylie W. N. O, Xiaohui Kang, Yi Luo, and Zhaomin Hou,* “PNP-Ligated Heterometallic Rare-Earth/Ruthenium Hydride Complexes Bearing Phosphinophenyl and Phosphinomethyl Bridging Ligands” Organometallics 2014, 33, 1030?1043.

(51) Kai Wang, Gen Luo, Jianquan Hong, Xigeng Zhou,* Linhong Weng, Yi Luo,* and Lixin Zhang* “Homometallic Rare-Earth Metal Phosphinidene Clusters: Synthesis and Reactivity” Angewandte Chemie-International Edition 2014, 53, 1053–1056.

(50) Juan Zhao, Xiangyang Miao, Yi Luo* “Time-Dependent Wave Packet Quantum Scattering and Quasi-Classical Trajectory Calculations of the H + FCl (v = 0, j = 0)→HF + Cl/HCl + F Reaction” J. Phys. Chem. A 2013, 117, 11411–11419.

(49) Gen Luo, Yi Luo*, Jingping Qu* “Direct nucleophilic trifluoromethylation using fluoroform: a theoretical mechanistic investigation and insight into the effect of alkali metal cations” New J. Chem. 2013, 37, 3274–3280.

(48) Takanoni Shima, Shaowei Hu, Gen Luo, Yi Luo, Zhaomin Hou* “Dinitrogen Cleavage and Hydrogenation by a Trinuclear Titanium Polyhydride Complex”, Science 2013, 340, 1549–1552 (responsible for all DFT calculations).

(47) Kei Nishii, Xiaohui Kang, Masayoshi Nishiura, Yi Luo, and Zhaomin Hou* “Regio- and stereospecific living polymerization and copolymerization of (E)-1,3-pentadiene with 1,3-butadiene by half-sandwich scandium catalysts” Dalton Trans. 2013, 42, 9031–9032.

(46) Xiaowei Jiao, Dan Zhao, Yi Luo,* and Jingping Qu* “Density Functional Studies on the Reaction Mechanism of Sulfamethoxazole with Hydroxyl Radical” Journal of Safety and Environment 2013, 13(2), 40–46.

(45) Shaowei Hu, Takatnori Shima,* Yi Luo,* Zhaomin Hou* “Tetranuclear Zirconium and Hafnium Polyhydride Complexes Composed of the “CpMH2” Units” Organometallics 2013, 32, 2145–2151.

(44) Yang Li, Ying Li, Baomin Wang, Yi Luo, Dawei Yang, Peng Tong, Jinfeng Zhao, Lun Luo, Yuhan Zhou, Si Chen, Fang Cheng, and Jingping Qu* “Ammonia Formation by a Thiolate-Bridged Diiron Amide Complex as a Nitrogenase Mimic” Nature Chem. 2013, 5, 320–326 (responsible for all DFT calculations).

(43) Juan Zhao*, Yi Luo* “Time-Dependent Wave-Packet Quantum and Quasiclassical Trajectory Study of He + H2+, D2+ → HeH+ + H, HeD+ + D Reaction on an Accurate FCI Potential Energy Surface” Journal of Physical Chemistry A 2012, 116, 2388–2393

(42) Gen Luo, Yi Luo,* Jingping Qu, Zhaomin Hou* “Mechanistic Investigation on Scandium-Catalyzed C–H Addition of Pyridines to Olefins” Organometallics 2012, 31, 3930–3937.

(41) Guang-Peng Wu, Wei-Min Ren, Yi Luo, Bo Li, Wen-Zhen Zhang, and Xiao-Bing Lu* “Enhanced Asymmetric Induction for the Copolymerization of CO2 and Cyclohexene Oxide with Unsymmetric Enantiopure SalenCo(III) Complexes: Synthesis of Crystalline CO2-based Polycarbonate” Journal of the American Chemical Society 2012, 134, 5682–5688.

(40) Yi Luo*, Yang Li, Hang Yu, Jinfeng Zhao, Yanhui Chen, Zhaomin Hou, Jingping Qu* “DFT Studies on Reduction of Dinitrogen to Ammonia by a Thiolate-bridged Diiron Complex as Nitrogenase Mimic” Organometallics 2012, 31, 335–344.

(39) Xiaohui Kang, Yuming Song, Yi Luo,* Gang Li, Zhaomin Hou,* Jingping Qu* “Computational Studies on Isospecific Polymerization of 1-Hexene Catalyzed by Cationic Rare Earth Metal Alkyl Complex Bearing a C3 iPr-trisox Ligand” Macromolecules 2012, 45, 640–651.

(38) Takanori Shima, Yi Luo, Timothy Stewart, Robert Bau, Garry J. McIntyre, Sax A. Mason, Zhaomin Hou* “Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals” Nature Chem. 2011, 3, 814–820 (responsible for all DFT calculations).

(37) Yi Luo*, Yunjie Luo, Jingping Qu, Zhaomin Hou* "QM/MM Studies on Scandium-Catalyzed Syndiospecific Copolymerization of Styrene and Ethylene", Organometallics 2011, 30, 2908–2919.

(36) Yanhui Chen, Litao Liu, Ying Peng, Pingping Chen, Yi Luo, Jingping Qu* “Unusual Thiolate-Bridged Diiron Clusters Bearing the cis-HN=NH Ligand and Their Reactivities with Terminal Alkynes”, J. Am. Chem. Soc. 2011, 133, 1147–1149.

Work Done in Japan

(35) Yi Luo, Satoshi Maeda, and Koichi Ohno*“Automated Exploration of Stable Isomers of H+(H2O)n (n = 5-7) via Ab Initio Calculations: An Application of the Anharmonic Downward Distortion Following Algorithm”, J. Comput. Chem. 2009, 30, 952–961.

(34) Lixin Zhang, Masayoshi Nishiura, Masahiro Yuki, Yi Luo, and Zhaomin Hou* “Isoprene Polymerization with Yttrium Amidinate Catalyst: Switching the Regio- and Stereoselectivity by Addition of AlMe3”, Angew. Chem. Int. Ed. 2008, 47, 2642–2645.

(33) Yi Luo*, Zhaomin Hou*, “Prediction of Binary Lanthanide(III) Hydride Clusters LnnH3n (Ln = La, Gd and Lu; n = 3 and 4)”, J. Phys. Chem. C, 2008, 112, 635–638.

(32) Yi Luo, Satoshi Maeda, and Koichi Ohno* “DFT Study on Isomerization and Decomposition of Cuprous Dialkyldithiophosphate and Its Reaction with Alkylperoxy Radical”, J. Phys. Chem. A 2008, 112, 5720–5726.

(31) Lixin Zhang, Toshiaki Suzuki, Yi Luo, Masayoshi Nishiura, and Zhaomin Hou* “Cationic Rare Earth Metal Alkyls bearing a Bis-(phosphinophenyl)amido (PNP) Ancillary Ligand. An Excellent Catalyst System for Living cis-1,4-Polymerization and Copolymerization of Isoprene and Butadiene”, Angew. Chem. Int. Ed. 2007, 46, 1909–1913.

(30) Yi Luo, Satoshi Maeda and Koichi Ohno* “Quantum Chemistry Study of H+(H2O)8: A Global Search for Its Isomers by Scaled Hypersphere Search Method, and Its Thermal Behavior”, J. Phys. Chem. A, 2007, 111, 10732–10737.

(29) Yi Luo*, Koichi Ohno* “Computational Study of Titanocene-Catalyzed Dehydrocoupling of the Adduct Me2NH-BH3: An Intramolecular, Stepwise Mechanism”, Organometallics, 2007, 26, 3597–3600.

(28) Yi Luo, Zhaomin Hou* “A Computational Study of Ethylene insertion into the Metal-Hydrogen Bond of Tetranuclear Yttrium Polyhydrido Complex [(C5Me4SiMe3)YH2]4”, Organometallics 2007, 26, 2941–2944.

(27) Yi Luo, Zhaomin Hou* “A Five-Center Rather than a Four-Center Transition State for Alkene insertion into a Metal-Alkyl Bond of a Cationic Binuclear Yttrium Complex ”, Organometallics 2006, 25, 6162–6165.

(26) Yi Luo, Jens Baldamus, Olivier Tardif, and Zhaomin Hou* “DFT Study of the Tetranuclear Lutetium and Yttrium Polyhydride Cluster Complexes [(C5Me4SiMe3)4Ln4H8] (Ln = Lu, Y) that Contain Four-Coordinate Hydrogen Atom”, Organometallics 2005, 24, 4362–4366.

(25) Lixin Zhang, Yi Luo, and Zhaomin Hou* “Unprecedented Isospecific 3,4-Polymerization of Isoprene by Cationic Rare Earth Metal Alkyl Species Resulting from a Binuclear Precursor”, J. Am. Chem. Soc. 2005, 127, 14562–14563.

(24) Yuki Ito, Changho Jung, Yi Luo, Michihis Koyama, Akira Endou, Momoji Kubo, Akira Imamura and Akira Miyamoto*, “Combinatorial computational chemistry approach of tight-binding quantum chemical molecular dynamics method to the design of the automotive catalysts”, Applied Surface Science 2005, 252, 2598–2602.

(23) Yi Luo, Parasuraman Selvam, Michihisa Koyama, Momoji Kubo, Akira Miyamoto*, “Theoretical Calculations on Electronic Structure and Catalytic Reaction of Organo-f-element Complexes”, Chemistry Letters 2004, 33, 780–785 (Highlight Review).

(22) Yi Luo, Yuki Ito, Huifeng Zhong, Akira Endou, Momoji Kubo, Sadasivam Manogaran, Akira Imamura and Akira Miyamoto*, “Density functional theory and tight-binding quantum chemical molecular dynamics calculations on Ce1-xCuxO2-? catalyst and the adsorption of CH3OH and CH3O on Ce1-xCuxO2-? ”, Chemical Physics Letters 2004, 384, 30–34.

(21) Yi Luo, Parasuraman Selvam, Michihisa Koyama, Momoji Kubo, Akira Miyamoto*, “Ligand effect on the periodic properties of trivalent organolanthanide complexes: A density functional study”, Inorganic Chemistry Communications 2004, 7, 566–568.

(20) Yi Luo, Parasuraman Selvam, Akira Endou, Momoji Kubo, and Akira Miyamoto* “Density Functional Study of the Insertion and Ring Opening Mechanism of MCP over Cp2LaH and Cp2LuH catalysts”, J. Am. Chem. Soc. 2003, 125, 16210–16212.

工作成果（奖励、专利等）

2004年获日本东北大学工学研究科优秀学术研究奖。

2004年获首届国家留学基金委优秀自费留学生奖。

1998年获甘肃省科技进步三等奖。

1997年获中石油兰州公司科技论文一等奖。

1997年获甘肃省科协科技进步一等奖。

在读学生人数 10名

毕业学生人数 5