Structural design criteria for anion hosts: Strategies for achieving anion shape recognition through the complementary placement of urea donor groups

被引：237
作者：
Hay, BP [1 ]
Firman, TK
Moyer, BA
机构：
[1] Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA
[2] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA
来源：
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2005年 / 127卷 / 06期
关键词：
D O I：
10.1021/ja043995k
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The arrangement of urea ligands about different shaped anions has been evaluated with electronic structure calculations. Geometries and binding energies are reported for urea complexes with Cl-, NO3-, and ClO4-. The results yield new insight into the nature of urea-anion interactions and provide structural criteria for the deliberate design of anion selective receptors containing two or more urea donor groups.
引用
收藏
页码：1810 / 1819
页数：10
相关论文
共 94 条
  • [1] Synthesis of tweezer-type receptors for the recognition of anions:: observation of an additive effect of hydrogen bonds on nitrate binding
    Albrecht, M
    Zauner, J
    Burgert, R
    Röttele, H
    Fröhlich, R
    [J]. MATERIALS SCIENCE & ENGINEERING C-BIOMIMETIC AND SUPRAMOLECULAR SYSTEMS, 2001, 18 (1-2): : 185 - 190
  • [2] New "cholapod" anionophores; high-affinity halide receptors derived from cholic acid
    Ayling, AJ
    Pérez-Payán, MN
    Davis, AP
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2001, 123 (50) : 12716 - 12717
  • [3] DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR
    BECKE, AD
    [J]. PHYSICAL REVIEW A, 1988, 38 (06): : 3098 - 3100
  • [4] Transition metal and organometallic anion complexation agents
    Beer, PD
    Hayes, EJ
    [J]. COORDINATION CHEMISTRY REVIEWS, 2003, 240 (1-2) : 167 - 189
  • [5] Beer PD, 2001, ANGEW CHEM INT EDIT, V40, P486, DOI 10.1002/1521-3773(20010202)40:3<486::AID-ANIE486>3.3.CO
  • [6] 2-G
  • [7] CATION H13O6+ - SHORT, SYMMETRIC HYDROGEN-BOND
    BELL, RA
    CHRISTOPH, GG
    FRONCZEK, FR
    MARSH, RE
    [J]. SCIENCE, 1975, 190 (4210) : 151 - 152
  • [8] Tripodal ionophore with sulfate recognition properties for anion-selective electrodes
    Berrocal, MJ
    Cruz, A
    Badr, IHA
    Bachas, LG
    [J]. ANALYTICAL CHEMISTRY, 2000, 72 (21) : 5295 - 5299
  • [9] Electron delocalization in isocyanates, formamides, and ureas: Importance of orbital interactions
    Bharatam, PV
    Moudgil, R
    Kaur, D
    [J]. JOURNAL OF PHYSICAL CHEMISTRY A, 2003, 107 (10) : 1627 - 1634
  • [10] Bianchi A, 1997, SUPRAMOLECULAR CHEMISTRY OF ANIONS, P217
12345678910