Porous metal-organic Cu(II) complex of L-Arginine; synthesis, characterization, hydrogen storage properties and molecular simulation calculations

Abstract

M ost known alternative to fossil fuel energy system is widely researched hydrogen economy in the other name hydrogen energy system [1]. The main obstacle to use hydrogen economy in daily life is to store hydrogen as an energy carrier, safely and economically [2][3]. In order to store hydrogen, compressed and liquid gas systems [4] have been being used but for safely and more profitable storage there are many choices such as, metal hydrides [5], carbon nanotubes [6][7], metal organic frameworks (MOFs) [8] which are needed to be improved. Some target values are set for storing acceptable amount of hydrogen to use in portable systems by US DOE (4.5 wt. % by 2007, 6 wt. % by 2010 and 9 wt. % by 2015) [9] and these target are being cited widely by international community. In order to reach the targets, researchers have been working on alternative storage medias and systems which are safe and widely useful for mobile applications like automobile and portable power systems. Weak forces act a great role 226-4533 ( 1261 ) Fax: +90 (364) in physical sorption (also called as physisorption) in solid hydrogen storage medias and reaches great numbers within low temperatures down to 77K. With common usage areas such like gas sorption [8], gas separation [10], catalyst [11][12]; MOFs have a great sorption ability for hydrogen. For instance, Yaghi and co-workers reported that IRMOF-1, IRMOF-8, IRMOF-11, IRMOF-18 and MOF-177 uptakes hydrogen wt.% 1.32, 1.5, 1.62, 0.89 and 1.25 respectively at 77K and 1 bar [13]. With reticular structure, Cu(II)-arginine complex could be called as a MOF structured complex. Too many MOF structured complex are synthesized by using metal or metal clusters with benzene di-, tri-(or more) carboxylic acids widely but amino acids are not used as building block. Amino acids are used for biological or pharmaceutical applications in general such as vascular effects of dietary of arginine or effects for immunity [14][15]. In addition to other applications, in this work a novel Cu(II)-arginine coordination A B S T R A C T C u(II)-arginine coordination compound was synthesized and characterized by using DSC, DTA, EA, FT-IR, XRD, SEM and EDX analysis techniques and then the hydrogen storage properties were investigated. Hydrogen storage performance of synthesized compound was determined both experimental and theoretically by using Materials Studio which is one of the Molecular simulation software and adsorption measurement equipment. It is found out that the arginine compound uptakes approximately 1.2 wt. % experimentally and 0.8 wt. % theoretically hydrogen in 77K and 100 bars pressure. Also the surface characteristics was calculated and also the possible cites which could uptake hydrogen in a single lattice cell were determined. At the end of this research, in addition to drug and other applications of L-arginine, it is proved that could be used as a part of adsorbent for hydrogen storage application. 02 compound is synthesized and characterized to use for hydrogen storage which is not used before, then...

The Structural and Thermal Characterization of New Cu-Arginate Complex; Experimental and Simulated Hydrogen Adsorption Properties

“…It was found that the previous arginine compound could been adsorbed approximately 0.8 wt. % hydrogen at 77 K and 1 bar pressure [28,29]. The value was 10 times bigger than the present work because the molecular spaces in the present work filled with the free and coordinated natrium and sulfite molecules.…”

“…Monte Carlo calculations realized in different 10 fugacity steps by using Metropolis method within 10 000 equilibration and production steps at 77 K. In addition, the force field, which was modified for the low temperature intermolecular interaction because of the quantum effects, used in the adsorption calculations. The details of the force field modification and the parameters explained deeply in our previous work [28,29]. The simulated model validated with the experimental surface area calculations by using Amorpous Cell module.…”

Transition Metal Complexes of Mixed Bioligands: Synthesis, Characterization, DFT Modeling, and Applications

“…e value of Racah parameter B (free ion) is larger than that of B (complex) due to the covalence bonding of the complex. e value of β (nephelauxetic ratio) < 1 is calculated according to equation (1). β < 1, validating octahedral geometry [34,35].…”

“…is class of molecules have been found throughout the life science and vary tremendously in their function and complexity. ese compounds play an essential part of metabolism and cellular signaling and as a part of drugs and as hydrogen storage media [1].…”

Preparation and Characterization of Neodymium(III) arginine complex.

“…Some of previous investigations of arginine complexes focused on bands shifting of carbonyl stretching around 1700cm -1 and of imine stretching around 1550cm -1 (Kong and Yu 2007;Ozturk et al 2014;Wu et al 2010;and Sunatkari et al 2015) due to their interactions with metals.…”