封继康
主要从事物理化学、理论化学研究。
个性化签名
- 姓名:封继康
- 目前身份:
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学术头衔:
博士生导师
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学科领域:
物理化学
- 研究兴趣:主要从事物理化学、理论化学研究。
封继康,男,教授,博士生导师。1938年生,浙江省海宁市人,1961年毕业于吉林大学化学系,留校任教。1983年任副教授,1985―1988年赴美国佛罗里达大学量子理论中心访问研究,1988年起任化学系教授,1993年起任物理化学专业博士生导师,曾任吉林大学理论化学研究所理论化学计算国家重点实验室主任,现任中国化学会理事,量子化学专业委员会主任,《中国化学》、《分子科学》、《化学研究与应用》、《吉林大学自然科学学报》编委。
长期以来,曾主讲吉林大学化学系《物理化学》《物质结构》《高等物化》《量子化学》等课程,编写了《基础量子化学原理》(98万字,高等教育出版社,1987年)等书。曾任国家教育委员会首届高等学校理科教学指导委员会委员,高等学校化学教育研究中心第―、二届委员会委员。他参与的成果《物理化学学科建设与人才培养》获1993年国家教委优秀教学成果奖(国家级一等)。
主要从事物理化学、理论化学研究。已先后承担了一项国家重点基础研究发展规划(973)项目:《有机/高分子发光材料重大基础问题的研究》,一项国家自然科学基金重大项目:《原子团簇的化学与物理》,一项国家自然科学基金重点项目:《有机分子和高分子的光子学基础研究》,八项国家自然科学基金面上项目:《原子簇化合物的电子结构和光谱性质》、《分子内激发态质子转移反应的理论研究》、《有机分子非线性光学性质的理论研究》、《金属碳笼的结构和性质的理论研究》、《超分子的结构与非线性光学性质》,《螺旋共轭及有关非线性光学材料的分子设计》,《新型有机双光子吸收材料的分子设计研究》,《金属团簇芳香性(无机芳香性分子)的理论研究》,在共轭有机分子、原子团簇包括C60等碳笼、金属碳笼及相关化合物的结构、稳定性、形成机理、电子光谱、反应活性和分子的二阶、三阶非线性光学性质与分子结构的关系等方面取得了许多有创新性的研究成果,已在国内外学术刊物发表论文350多篇,其研究成果《有机共轭分子的结构和光学非线性》获得1995年国家教委科学技术进步奖(第一获奖人),《有机分子和高分子的光学基础》获得1997年吉林省教委科学技术进步奖。《C60等团簇的结构和性质的理论研究》获2001年中国高校自然科学奖(一等奖,第一获奖人)。
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成果数
10
封继康
,-0001,():
-1年11月30日
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封继康, JIKANG FENG, JUN LI, AND ZHRU LI MICHAEL C. ZERNER
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOL XXXIX, 331-334 (1991),-0001,():
-1年11月30日
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封继康
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封继康, Jun Li, Jikang Feng and Jiazhong Sun
CHEMICAL PHYSICS LETTERS 1993, Volume 203, number 5,6,-0001,():
-1年11月30日
U sing both INDO/SCI and INDO/SDCI methods, the UV-visibie spectra of C60 have been calculated. The results are in good agreement with experiment, On the basis of cnorrect electronic spectra, calculations of Ihc nonlinear third-order optical suscepti-bility (yijkl) of C60 are reported. The calculations are performed using the INDO/CI melhod combined with a sum-ver-tates expression for yijkl. The calculated resulls, <y>(-ω, ω, -ω, ω)=730×10-34 esu (ω=1.064μm) and <y>(-2ω; ω, ω, 0)=6.90×10 -34 esu (ω=1.91μm), are in good agreement with some of the reeent obserations too.
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【期刊论文】Calculations on the Spectra and Nonlinear Third-Order Optical Susceptibility of C70
封继康, JUN LI, JIKANG FENG, AND CHIACHUNG SUN
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOL 52, 673-980 (1994),-0001,():
-1年11月30日
ectra. calculations of the nonlinear third-order optical susceptibility (yijkl) of C70 were performed using the INDO/SDCI method combined with a sum-over-states expression The calculated value for (y)(-2w;w.w,0) is 0.882×10-33 esu (w=1.91μm), which is in good agreement with ohservation.
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封继康, QIWEN TENG, JIKANG FENG, AND CHACHUNG SUN
International Journal of Quantum Chemistry, Vol. 55, 35-45 (1995),-0001,():
-1年11月30日
Intermediate neglect of differential overlap (INDO) calculations were used to study two structures of C60NH+2: one of C2v geometry with a bridging NH+2 across the bond between two fused six-membered rings in C60 and the other of Cs geometry with a bridging NH+2 across the bond between a five-and a six-membered ring, We calculated the most stable isomer o1 C60NH+2 to be of C2v, symmetry. It was found that the C2v isomer has a protonated aziridine structure with a bridging C--C bond length of 0.1520nm. The electronic spectra of both isomers of C60NH+2 were calculated. Comparisons were made with the isoelectronic mniecules C60O and C60CH2, cases in which the calculated electronic spectra for the most stable isomers C60O (C2v) and C60CH2 (Czv) are in good agreement with recent experimental results.
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封继康, JIKANG FENG, AIMIN REN, WEIQUAN TIAN, MAOFA GE, ZHIRU LI, CHIACHUNG SUN, XUEHE ZHENG, MICHAEL C. ZERNER
International Journal of Quantum Chemistry, Vol. 76, 23-43 (2000),-0001,():
-1年11月30日
Possible isomers of Buckminsteffullerene derivatives C60O2 and C60O3 are studied with the semiempisical quantum mechanical INDO method. The C60O2 isomer of Cs symmetry, where the epoxy oxygen atoms are on the 6-6 bond of a hexagon, is foued most stable. The C60O3 isomer of C3v symmetry with a single epoxy chain connecting both carbons of a 6-6 bond is most stable. However, the other two isomers of C2 and C, symmetries are near as stable. In all cases, the 6-6 carbon carbon bond in the epoxial ring is not broken. Based on the structures so identified, the calculated electronic spectra of C60O2, and the 13C-NMR analysis of both C60O2 and C60O3 agree well with experiment. he calculated electronic spectra of C60O3 are theoretical prediction. The chemical reactivity of C60O2 and C60O3 is disused in connection with our calculated results.
C60On, structure, spectra
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【期刊论文】Theoretical Investigation of the Heterofullerenes C59N and C69N and Their Dimers
封继康
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封继康, Maofa Ge, Jikang Feng, Weiquan Tian, Zhiru Li, Xuri Huang, Chiachung Sun
Chemical Physics Letters 282(1998)54-58,-0001,():
-1年11月30日
The reactions of Ti8C12 with H2O and C2H4 to form Ti8C12(H2O)8 and Ti8C12(C2H4)4 were studied by using ab initio method. It was discoveered that the ligand field could induce the rearrangement of TI8c12. Our calculated results suggested in Ti8C12(H2O)8, electron transfer from H2O to Ti8C12 while in Ti8C12(C2H4)4, from Ti8C12 to C2H4 and the energy decrease and stability increasein the formation of Ti8C12(H2O)8 from Ti8C12(D2h), while the case is opposite in formation of Ti8C12(C2H4)4.
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【期刊论文】Theoretical investigation on the two-photon absorp tion of C60
封继康, Xin Zhou a, *, Ai-Min Ren a, Ji-Kang Feng a, b
Journal of Molecular Structure (Theochem) 680(2004)237-242,-0001,():
-1年11月30日
We present a theoretical study on the two-photo absorption(TPA) prperties of C60. On the basis of the equilibrium geometry optimized by B3LYP/6-31G method, we employ the ZINDO method combined SOS formula to investigate the second hyperpolarizability and TPA cross section of C60. The calculated result of the real part of the second hyperpolarizability of C6 is in good agreement with the previous calculation and the experimental observation. In the 400-1000nm range of TPA wavelength, we calculated TPA cross sections corresponding to all two photon allowed states. As a result, we find that there is only a TPA cross section maximum-995.7
Two-photon absorption, C60, ZINDO-SOS
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