Synthesis, Molecular Structure of Diethyl Phenylenebis( Methylene) Dicarbamates and FTIR Spectroscopy Molecular Recognition Study with Benzenediols

被引:4
作者
Saucedo-Balderas, Marlene M. [1 ]
Delgado-Alfaro, Rogelio A. [2 ]
Martinez-Martinez, Francisco J. [2 ]
Ortegon-Reyna, David [3 ]
Bernabe-Pineda, Margarita [1 ]
Zuniga-Lemus, Oscar [1 ]
Gonzalez-Gonzalez, Juan S. [1 ]
机构
[1] Univ Canada, Inst Farmacobiol Carretera Teotitlan, Oaxaca 68540, Mexico
[2] Univ Colima, Fac Ciencias Quim, Colima 28400, Mexico
[3] IPN, Ctr Invest & Estudios Avanzados, Dept Quim, San Pedro Zacatenco 07360, Mexico
关键词
carbamates; xylylenediamines; molecular recognition; FTIR; DFT; SET MODEL CHEMISTRY; TOTAL ENERGIES; HYDROGEN-BOND; COCRYSTALS; PRINCIPLES; PROTEINS;
D O I
10.5935/0103-5053.20140289
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The synthesis, density functional theory (DFT) molecular structure and Fourier transform infrared spectroscopy (FTIR) molecular recognition study of diethyl phenylenebis(methylene) dicarbamates with 1,2- and 1,3-benzenediols is described. The formation of the complexes was confirmed by the shift of the O-H stretching bands in the IR spectra of the complexes compared with the IR spectra of the noncomplexed benzenediols.
引用
收藏
页码:396 / 402
页数:7
相关论文
共 39 条
[1]   Phosphorus-Based Functional Groups as Hydrogen Bonding Templates for Rotaxane Formation [J].
Ahmed, Rehan ;
Altieri, Andrea ;
D'Souza, Daniel M. ;
Leigh, David A. ;
Mullen, Kathleen M. ;
Papmeyer, Marcus ;
Slawin, Alexandra M. Z. ;
Wong, Jenny K. Y. ;
Woollins, J. Derek .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2011, 133 (31) :12304-12310
[2]  
Ai-Fang L., 2010, Chem. Soc. Rev, V39, P3729
[3]  
Ariga K., 2006, Supramolecular Chemistry-Fundamentals and Applications
[4]   DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE [J].
BECKE, AD .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) :5648-5652
[5]   Cooperative association of pyrazoles and phenols: A versatile binary system [J].
Boldog, I ;
Rusanov, EB ;
Sieler, J ;
Domasevitch, KV .
NEW JOURNAL OF CHEMISTRY, 2004, 28 (06) :756-759
[6]  
Bugg T., 2004, INTRO ENZYME COENZYM, V2nd
[7]   EFFICIENT DIFFUSE FUNCTION-AUGMENTED BASIS SETS FOR ANION CALCULATIONS. III. THE 3-21+G BASIS SET FOR FIRST-ROW ELEMENTS, LI-F [J].
CLARK, T ;
CHANDRASEKHAR, J ;
SPITZNAGEL, GW ;
SCHLEYER, PV .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (03) :294-301
[8]   1,3-Bis(α-aminoisopropyl)benzene, meta-C6H4(CMe2NH2)2:: An N,N-bridging and N,C,N-cyclometalating ligand [J].
Dahlenburg, Lutz ;
Treffert, Harald ;
Heinemann, Frank W. .
INORGANICA CHIMICA ACTA, 2008, 361 (05) :1311-1318
[9]  
Dreizler R M., 1990, Density Functional Theory: An Approach to the Quantum Many-Body Problem, DOI [10.1007/978-3-642-86105-5, DOI 10.1007/978-3-642-86105-5]
[10]   Amide- and urea-functionalized pyrroles and benzopyrroles as synthetic, neutral anion receptors [J].
Dydio, Pawel ;
Lichosyt, Dawid ;
Jurczak, Janusz .
CHEMICAL SOCIETY REVIEWS, 2011, 40 (05) :2971-2985