Chemoselective Polymers, Nanoparticles, and Nanotubes in Chemical Sensor and Preconcentrator Applications

2008 ◽  
Vol 1081 ◽  
Author(s):  
Duane L Simonson ◽  
R Andrew McGill ◽  
Michael R. Papantonakis ◽  
Bernadette A. Higgins ◽  
Jennifer L. Stepnowski
Keyword(s):  
Hydrogen Bond ◽  
Vapor Pressure ◽  
High Efficiency ◽  
Chemical Sensor ◽  
Nano Materials ◽  
Sensor Applications ◽  
Hydrogen Bond Interactions ◽  
Vapor Collection ◽  
High Vapor ◽  
Lower Vapor Pressure

AbstractThe functionalization of polymers and nano-materials with 1,1,1,3,3,3-hexafluoro-2-propanol (HFIP) groups provides materials suitable for a variety of preconcentrator and sensor applications. These are especially useful in high vapor pressure, hydrogen-bond basic vapor collection. These specific interactions lead to high efficiency collection of basic analytes such as DMMP (organophosphonates), DNT, and TNT (nitroaromatics). The lower vapor pressure analytes such as RDX have a larger dependence on surface interactions without specific (hydrogen bond) interactions. The use of carbosilane polymers with HFIP pendant groups offers dramatic improvements over fluoropolyol (FPOL) and siloxane polymers in sensor and precon applications. The sorbent capacity and thermal stability are both dramatically improved. In this work we will demonstrate the use of Carbon Nanotube (CNT) composites with HFIP polymers as sorbent coatings and evaluate their use as SPME coatings.

Design of Sorbent Hydrogen Bond Acidic Polycarbosilanes for Chemical Sensor Applications

2007 ◽  
pp. 71-87 ◽  
Author(s):  
Eric J. Houser ◽  
Duane L. Simonson ◽  
Jennifer L. Stepnowski ◽  
Mike R. Papantonakis ◽  
Stuart K. Ross ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Chemical Sensor ◽  
Sensor Applications

A COMPARATIVE STUDY ON INTERMOLECULAR HYDROGEN BOND INTERACTIONS IN MOLECULAR DIMERS USING DIFFERENT LEVELS OF COMPUTATIONAL METHODS

2012 ◽  
Vol 11 (06) ◽  
pp. 1237-1259 ◽  
Author(s):  
CUIHONG WANG ◽  
RUIQIN ZHANG ◽  
ZIJING LIN
Keyword(s):  
Hydrogen Bond ◽  
High Efficiency ◽  
Intermolecular Hydrogen Bond ◽  
Good Choice ◽  
Binding Energies ◽  
Basis Set ◽  
Basis Sets ◽  
Bond Lengths ◽  
Hydrogen Bond Interactions ◽  
Theoretical Approaches

Hydrogen bond interactions in biological systems are important scientific issues but are challenging for their theoretical determinations at quantum-mechanical level of theory. Due to the different approximations, the available theoretical approaches often predict diverse hydrogen bond lengths and strengths. In this work, we evaluated the reliabilities of a number of widely used theoretical approaches including HF, SVWN, BLYP, PW91, B3LYP, BH and HLYP, B97D, M06L, MP2, and DFTB-D in studying hydrogen bonding, by calculating the hydrogen bond lengths and binding energies of 23 dimers formed by HCOOH , NH3 and Glycine. We also compared the effects of STO-3G, 6-31+G**, 6-311++G** and 6-311++G(2df,2p) basis sets on the results. Our result shows that, M06L, B3LYP and BHandHLYP methods can predict accurate dimer structures with a moderate basis set. Moreover, DFTB-D also gives reasonably reliable results with high efficiency and satisfactory precision, being a good choice for studying complex structures which contain hydrogen bonds.

Rapid Vapor-Collection Method for Vapor Pressure Measurements of Low-Volatility Compounds

2020 ◽  
Vol 92 (24) ◽  
pp. 16253-16259
Author(s):  
Megan E. Harries ◽  
Cheryle N. Beuning ◽  
Bridger L. Johnston ◽  
Tara M. Lovestead ◽  
Jason A. Widegren
Keyword(s):  
Vapor Pressure ◽  
Pressure Measurements ◽  
Collection Method ◽  
Vapor Collection ◽  
Vapor Pressure Measurements

scholarly journals Bis[2-(2-hydroxymethyl)pyridine-κ2N,O](pivalato-κO)copper(II)

2012 ◽  
Vol 68 (8) ◽  
pp. m1055-m1055 ◽  
Author(s):  
M. Mobin Shaikh ◽  
Veenu Mishra ◽  
Priti Ram ◽  
Anil Birla
Keyword(s):  
Hydrogen Bond ◽  
Crystal Packing ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Distorted Octahedral Geometry ◽  
Pyridine Ligands ◽  
Hydrogen Bond Interactions ◽  
Distorted Octahedral

The structure of the centrosymmetric title complex, [Cu(C5H9O2)2(C6H7NO)2], has the CuIIatom on a centre of inversion. The CuIIatom is six-coordinate with a distorted octahedral geometry, defined by the N and O atoms of the chelating 2-(2-hydroxymethyl)pyridine ligands and two carboxylate O atoms from two monodentate pivalate ions. The crystal packing is stabilized by intermolecular C—H...O and intramolecular O—H...O hydrogen-bond interactions.

Rietveld refinement of the cocrystal 2,4-dihydroxybenzoic acid–N′-(propan-2-ylidene)nicotinohydrazide (1/1)

2012 ◽  
Vol 68 (9) ◽  
pp. o335-o337 ◽  
Author(s):  
Saul H. Lapidus ◽  
Andreas Lemmerer ◽  
Joel Bernstein ◽  
Peter W. Stephens
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Powder Diffraction ◽  
Supramolecular Assembly ◽  
Covalent Bond ◽  
Analytical Tool ◽  
Powder Diffraction Data ◽  
Dihydroxybenzoic Acid ◽  
Bond Forming ◽  
Hydrogen Bond Interactions

A further example of using a covalent-bond-forming reaction to alter supramolecular assembly by modification of hydrogen-bonding possibilities is presented. This concept was introduced by Lemmerer, Bernstein & Kahlenberg [CrystEngComm(2011),13, 55–59]. The title structure, C9H11N3O·C7H6O4, which consists of a reacted niazid molecule,viz.N′-(propan-2-ylidene)nicotinohydrazide, and 2,4-dihydroxybenzoic acid, was solved from powder diffraction data using simulated annealing. The results further demonstrate the relevance and utility of powder diffraction as an analytical tool in the study of cocrystals and their hydrogen-bond interactions.

scholarly journals High Vapor Pressure Perfluorocarbons Cause Vesicle Fusion and Changes in Membrane Packing

2008 ◽  
Vol 95 (10) ◽  
pp. 4737-4747 ◽  
Author(s):  
Berenice Venegas ◽  
Marla R. Wolfson ◽  
Peter H. Cooke ◽  
Parkson Lee-Gau Chong
Keyword(s):  
Vapor Pressure ◽  
Vesicle Fusion ◽  
High Vapor Pressure ◽  
High Vapor

Functionalized polysiloxane thin films deposited by matrix-assisted pulsed laser evaporation for advanced chemical sensor applications

2006 ◽  
Vol 252 (13) ◽  
pp. 4871-4876 ◽  
Author(s):  
E.J. Houser ◽  
D.B. Chrisey ◽  
M. Bercu ◽  
N.D. Scarisoreanu ◽  
A. Purice ◽  
...  
Keyword(s):  
Thin Films ◽  
Chemical Sensor ◽  
Pulsed Laser ◽  
Laser Evaporation ◽  
Sensor Applications

scholarly journals Doubly ionic hydrogen bond interactions within the choline chloride–urea deep eutectic solvent

2016 ◽  
Vol 18 (27) ◽  
pp. 18145-18160 ◽  
Author(s):  
Claire R. Ashworth ◽  
Richard P. Matthews ◽  
Tom Welton ◽  
Patricia A. Hunt
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Computational Analysis ◽  
Choline Chloride ◽  
Deep Eutectic Solvent ◽  
Hydrogen Bond Interactions

Computational analysis indicates flexibility and diversity in the hydrogen bonding, but limited charge delocalisation, within the choline chloride–urea eutectic.

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