AB-INITIO CHARACTERIZATION OF PHENYLNITRENIUM AND PHENYLCARBENE - REMARKABLY DIFFERENT PROPERTIES FOR ISOELECTRONIC SPECIES

被引:138
作者
CRAMER, CJ
DULLES, FJ
FALVEY, DE
机构
[1] UNIV MINNESOTA,INST SUPERCOMP,MINNEAPOLIS,MN 55455
[2] UNIV MARYLAND,DEPT CHEM & BIOCHEM,COLLEGE PK,MD 20742
关键词
D O I
10.1021/ja00100a069
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
[No abstract available]
引用
收藏
页码:9787 / 9788
页数:2
相关论文
共 47 条
[1]   PHOTOGENERATED ARYLNITRENIUM IONS - ABSORPTION-SPECTRA AND ABSOLUTE RATE CONSTANTS FOR TERT-BUTYL(4-HALO-2-ACETYLPHENYL)NITRENIUM IONS MEASURED BY TIME-RESOLVED LASER SPECTROSCOPY [J].
ANDERSON, GB ;
FALVEY, DE .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1993, 115 (21) :9870-9871
[2]   PHOTOGENERATED ARYLNITRENIUM IONS - PHOTOISOMERIZATION OF THE N-TERT-BUTYL-3-METHYLANTHRANILIUM ION AND SPIN-SELECTIVE REACTIVITY OF THE ISOMERIC ARYLNITRENIUM ION [J].
ANDERSON, GB ;
YANG, LLN ;
FALVEY, DE .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1993, 115 (16) :7254-7262
[3]  
[Anonymous], 1986, AB INITIO MOL ORBITA
[4]  
BAKKER J, 1993, CHEM PHYS LETT, V216, P380
[5]   GENERATION OF METHYLENES FROM GEMINAL DIAZIDES VIA EXCITED NITRENES [J].
BARASH, L ;
WASSERMA.E ;
YAGER, WA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (15) :3931-&
[6]   DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR [J].
BECKE, AD .
PHYSICAL REVIEW A, 1988, 38 (06) :3098-3100
[7]   THEORETICAL CHARACTERIZATION OF THE TRANSITION STRUCTURE FOR AN SN2 REACTION AT NEUTRAL NITROGEN [J].
BUHL, M ;
SCHAEFER, HF .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1993, 115 (01) :364-365
[8]   BIMOLECULAR REACTIONS OF MUTAGENIC N-ACETOXY-N-ALKOXYBENZAMIDES AND N-METHYLANILINE [J].
CAMPBELL, JJ ;
GLOVER, SA .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1992, (10) :1661-1663
[9]   NEW PREDICTIONS FOR SINGLET TRIPLET GAPS OF SUBSTITUTED CARBENES [J].
CARTER, EA ;
GODDARD, WA .
JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (18) :4651-4652
[10]   FULL VALENCE COMPLETE ACTIVE SPACE SCF, MULTIREFERENCE CI, AND DENSITY-FUNCTIONAL CALCULATIONS OF 1A1-3B1 SINGLET-TRIPLET GAPS FOR THE VALENCE-ISOELECTRONIC SERIES BH2-, CH2, NH2+, ALH2-, SIH2, PH2+, GAH2-, GEH2, AND ASH2+ [J].
CRAMER, CJ ;
DULLES, FJ ;
STORER, JW ;
WORTHINGTON, SE .
CHEMICAL PHYSICS LETTERS, 1994, 218 (5-6) :387-394