ENERGETICS OF THE SINGLET AND TRIPLET-STATES OF ALKYLNITRENIUM IONS - ABINITIO MOLECULAR-ORBITAL CALCULATIONS

被引：60

作者：

FORD, GP

HERMAN, PS

机构：

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1989年 / 111卷 / 11期

关键词：

D O I：

10.1021/ja00193a035

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：3987 / 3996

页数：10

共 80 条

[1] REMOTE INTRAMOLECULAR FUNCTIONALIZATION OF ARYLNITRENIUM IONS - IPSO-SUBSTITUTION AND SPIRO-LACTONE FORMATION [J].

ABRAMOVITCH, RA ;

HAWI, A ;

RODRIGUES, JAR ;

TROMBETTA, TR .

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1986, (04) :283-284

[2]

ABRAMOVITCH RA, 1984, AZIDES NITRENES REAC, P297

[3] MOLECULAR PHOTOELECTRON SPECTROSCOPY .2. SUMMARY OF IONIZATION POTENTIALS [J].

ALJOBOURY, MI ;

TURNER, DW .

JOURNAL OF THE CHEMICAL SOCIETY, 1964, (NOV) :4434-&

[4] THE FRAGMENTATION OF C2H6N+ IONS - AN ALTERNATIVE MECHANISM [J].

BARONE, V ;

LELJ, F ;

GRANDE, P ;

RUSSO, N ;

TOSCANO, M .

CHEMICAL PHYSICS LETTERS, 1987, 133 (06) :548-552

[5]

BARONE V, 1985, J MOL STRUC-THEOCHEM, V25, P319, DOI 10.1016/0166-1280(85)80019-1

[6]

BENDER CF, 1977, FARADAY DISCUSS, V62, P58

[7] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J].

BINKLEY, JS ;

POPLE, JA ;

HEHRE, WJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) :939-947

[8] MOLLER-PLESSET THEORY FOR ATOMIC GROUND-STATE ENERGIES [J].

BINKLEY, JS ;

POPLE, JA .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1975, 9 (02) :229-236

[9] CRITICALLY HETEROSYMMETRIC BIRADICALOID GEOMETRIES OF PROTONATED SCHIFF-BASES - POSSIBLE CONSEQUENCES FOR PHOTOCHEMISTRY AND PHOTOBIOLOGY [J].

BONACICKOUTECKY, V ;

SCHOFFEL, K ;

MICHL, J .

THEORETICA CHIMICA ACTA, 1987, 72 (5-6) :459-474

[10] CHARGE REVERSAL OF 3 ALKYLAMIDE IONS - FREE NITRENIUM IONS [J].

BURSEY, MM ;

HARVAN, DJ ;

PARKER, CE ;

DARDEN, TA ;

HASS, JR .

ORGANIC MASS SPECTROMETRY, 1983, 18 (12) :530-533

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