ON THE ZWITTERIONIC NATURE OF STRONGLY TWISTED PUSH-PULL ETHYLENES - THE CASE OF 3-(1,3-DIISOPROPYL-2-IMIDAZOLIDINYLIDENE)-2,4-PENTANEDIONE MONOHYDRATE, STUDIES BY X-RAY-DIFFRACTION AND ABINITIO CALCULATIONS

被引：20

作者：

DESTRO, R ^{[1
]}

COSENTINO, U ^{[1
]}

MORO, G ^{[1
]}

ORTOLEVA, E ^{[1
]}

PILATI, T ^{[1
]}

机构：

[1] UNIV MILAN,CTR CNRS,I-20133 MILAN,ITALY

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1989年 / 212卷

关键词：

D O I：

10.1016/0022-2860(89)85070-7

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：97 / 111

页数：15

共 22 条

[1] CRYSTAL-STRUCTURE OF 2 POLARIZED ETHYLENES [J].

ABRAHAMSSON, S ;

REHNBERG, G ;

LILJEFORS, T ;

SANDSTROM, J .

ACTA CHEMICA SCANDINAVICA SERIES B-ORGANIC CHEMISTRY AND BIOCHEMISTRY, 1974, B 28 (10) :1109-1120

[2] PUSH-PULL ETHYLENES - THE STRUCTURES OF 3-(2-IMIDAZOLIDINYLIDENE)-2,4-PENTANEDIONE (I), C8H12N2O2, AND 3-(1,3-DIMETHYL-2-IMIDAZOLIDINYLIDENE)-2,4-PENTANEDIONE TRIHYDRATE (II), C10H16N2O2.3H2O [J].

ADHIKESAVALU, D ;

VENKATESAN, K .

ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1983, 39 (AUG) :1044-1048

[3] TABLES OF BOND LENGTHS DETERMINED BY X-RAY AND NEUTRON-DIFFRACTION .1. BOND LENGTHS IN ORGANIC-COMPOUNDS [J].

ALLEN, FH ;

KENNARD, O ;

WATSON, DG ;

BRAMMER, L ;

ORPEN, AG ;

TAYLOR, R .

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1987, (12) :S1-S19

[4] DESCRIPTION OF CONJUGATION AND HYPERCONJUGATION IN TERMS OF ELECTRON DISTRIBUTIONS [J].

BADER, RFW ;

SLEE, TS ;

CREMER, D ;

KRAKA, E .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (15) :5061-5068

[5] THE CHARACTERIZATION OF ATOMIC INTERACTIONS [J].

BADER, RFW ;

ESSEN, H .

JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (05) :1943-1960

[6] CALCULATION OF THE AVERAGE PROPERTIES OF ATOMS IN MOLECULES .2. [J].

BIEGLERKONIG, FW ;

BADER, RFW ;

TANG, TH .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1982, 3 (03) :317-328

[7]

BINKLEY JS, 1983, GAUSSIAN 82

[8] BOND CRITICAL-POINTS IN THE ELECTRONIC-STRUCTURES OF THE MAIN GROUP DIATOMIC HYDRIDES OF LITHIUM THROUGH BROMINE [J].

BOYD, RJ ;

EDGECOMBE, KE .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1987, 8 (04) :489-498

[9] THE WATER MOLECULE IN CRYSTALLINE HYDRATES STUDIED BY NEUTRON-DIFFRACTION [J].

CHIARI, G ;

FERRARIS, G .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1982, 38 (SEP) :2331-2341

[10]

COSENTINO U, UNPUB

← 1 2 3 →