Hyperconjugative Nature of the Cis Effect in N2F2: Computational Chemistry Teaching Case
WANG Jin-Zhao1, LIU Peng2, YANG Yi-Ying1, ZHU Rong-Xiu1, MA Yu-Chen1, ZHANG Dong-Ju1**
1. School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, China; 2. School of Chemistry and Chemical Engineering, Qufu Normal University, Qufu 273165, China
Bohn R K,Bauer S H.Inorganic Chemistry,1967,6:309-312
[5]
Kuczkowski R L,Wilson E B.The Journal of Chemical Physics,1963,39:1030-1034
[6]
洪鹄,黄兆和,柴正祺,等.大学化学,2017,32(1):84-105
[7]
祝钧.大学化学,1990,5(4):44-49
[8]
Reed A E,Curtiss L A,Weinhold F.Chemical Reviews,1988,88(6):899-926
[9]
Dennington R,Keith T A,Millam J M,et al.GaussView,Version 6.Shawnee Mission:Semichem Inc.,2016
[10]
Frisch M J,Trucks G W,Schlegel H B,et al.Gaussian 09,Revision B.01.Wallingford:Gaussian,Inc.,2010
[11]
Purvis G D,Bartlett R J.Journal of Chemical Physics,1982,76:1910-1918
[12]
Kendall R A,Dunning T H,Harrison R J.Journal of Chemical Physics,1992,96:6796-6806
[13]
Weinhold F,Glendening E D.NBO 5.0 Program Manual:Natural Bond Orbital Analysis Programs.Madison:Theoretical Chemistry Institute,University of Wisconsin,2001
[14]
Mulliken R S,Rieke C A,Brown W G.Journal of Chemical Physics,1941,63:41-56
[15]
Alabugin I V,Gilmore K M,Peterson P W.Computational Molecular Science,2011,1:109-141
[16]
Pophristic V,Goodman L.Nature,2001,411:565-567
[17]
Weinhold F.Nature,2001,411:539-541
[18]
凌皓博,赵佩鈜,俞寿云.大学化学,2024,39(1):325-331
[19]
许家喜,麻远.化学教育(中英文),2022,43(24):115-119
[20]
Reed A E,Weinhold F.Journal of Chemical Physics,1985,83:1736-1740
[21]
Reed A E,Weinstock R B,Weinhold F.Journal of Chemical Physics,1985,83:735-746
[22]
Reed A E,Weinhold F.Journal of Chemical Physics,1983,78:4066-4073
[23]
Perrin C L,Armstrong K B,Fabian M A.Journal of the American Chemical Society,1994,116:715-722
[24]
姚远,石小倩,杨旭东.化学教育(中英文),2020,41(1):93-98
[25]
Thiehoff C,Rey Y P,Gilmour R.Israel Journal of Chemistry,2017,57:92-100
[26]
陈宁,许家喜.化学教育(中英文),2022,43(18):119-124
[27]
Hirano T,Nonoyama S,Miyajima T,et al.Journal of the Chemical Society,Chemical Communications,1986,8:606-607
[28]
Lambert J B,Zhao Y,Emblidge R W,et al.Accounts of Chemical Research,1999,32:183-190
[29]
DePuy C H,Gronert S,Mullin A,et al.Journal of the American Chemical Society,1990,112:8650-8655
[30]
Rodríguez H A,Fernández I.ChemPhysChem,2023,24:e202300379