A comprehensive description of the nature of the intermolecular interactions in binary liquid mixtures was studied combined experimental and computational approach including quantum chemistry tools and computational techniques. Many physicochemical properties of substances and many biochemicals, chemical and physical properties are regulated by hydrogen bond interaction. The study of intermolecular interactions in the liquid mixtures is of considerable importance in the explanation of the structural properties of the molecules as these interactions influences the structural arrangement of the molecules. Considerable interest has been shown in recent years in conforming and understanding the molecular hydrogen bonding interactions involved in …show more content…
The magnitude and sign of the excess thermodynamic properties of mixtures are considered as a measure of the deviation of the mixture from ideality and reflect the nature of molecular interactions that are existing between component molecules. The excess thermodynamic properties are very useful in developing and proving the solution theories, data prediction and to design of physical separation equipment. The chemists and chemical engineers show interest in thermodynamic properties of pure liquids and liquid mixtures. Thermodynamics has a very wide range of applications as it is used in a large variety of scientific disciplines. Because it is an integrated science concerned with bulk property, it can provide useful solutions to science problems with a minimum experimental data. Thermodynamics can provide useful information on material properties based on a few experimental measurements. The knowledge of thermo-physical properties of mixtures of organic liquid mixtures are essential for the right design of several types of relevant industrial equipment and these data can provide information about the intermolecular interactions in the …show more content…
The ability to predict the outcome of a reaction provides large savings in terms of money and time. Chemists have recognized that intermolecular forces of various types have a profound influence on the chemical and physical properties of molecules. The quest of a chemist is to understand molecular shapes and reactivity of various chemical systems. A large number of chemical systems have been extensively studied with molecular modeling but still a number of systems have not been studied in detail due to many reasons based on structure and size. An extended analysis of the computational results was applied to confirm the hydrogen bond complex formation and to better reveal the nature of intermolecular hydrogen bond
3.3. Frontier molecular orbital The electronic structure of the doped fullerene interacting with glycine compared to pure fullerene C20 has been calculated with density functional theory using the B3LYP/6-31G basis set. The molecular orbital theory, the relative chemical reactivity of a molecular system can be estimated using HOMO and LUMO energies and overlaps of molecular orbital [18-20]. The electronic transition from the HOMO to LUMO are mainly derived from the electron density transfer n orbital to p* orbital.
As different bonds require different amounts of energy to bend and stretch, they absorb and transmit different amounts of radiation. This data is then collected by the spectrometer and transposed into graph form. The different amounts of absorbance for various functional groups and types of bonds have been established and can be used to identify compounds. Also, an IR spectrum can be compared to known “fingerprint” spectra in order to identify the compound. When compared to the fingerprint spectrum for 1-bromobutane found in Experimental Organic Chemistry, the IR spectrum collected from the data was very similar.
Our latest lab covered a detailed description of atoms and molecules, laid out in a distinctive way using balls and sticks for valence electrons and bonds. We were given charts to fill out recoding our findings regarding several molecules and their electron count, type of bonds,
This research poses the question: does the temperature actually affect the rate of a chemical reaction? Alka-Seltzer has chemical energy: the potential energy
Procedure The various solids and liquids were used for this lab. The first experiment had effects of the temperature towards the chemical reaction. The first experiment had two test tubes filled with same amount of substances to react, but one was at 10 ºC while the other one was at 50 ºC. The second experiment involved different molar concentration of substances reacting. Individual test tube was filled with 1.0,
The constant variable is the amount of sodium hydroxide. Literature review A covalent bond is a chemical bond that involves the sharing of electron pairs between atoms. These electron pairs are shared pairs and bonding pairs, and the stable balance of attraction and a repulsive force between atoms, when they share electrons is called covalent bonding.
(2005) states that all molecules have different boiling points, this is due to the intermolecular forces between the atoms. Therefore, the more intense the intermolecular force is the higher the boiling point, and the lower intensity, the lower the boiling point. This paper aims to discusses the order of the boiling points of 3-methyl-1-butanol and 3-methylbutanal, 1-Hexanol and 1-Pentanol, examining the differences between them. (De Marco et al. 2014). Results Table 1.
Introduction The intent of this experiment is to understand how hot and cold water interact with each other by combining clear hot water and black ice cold water. I hope to learn more about how hot and cold water interact with each other. As of now, I know that cold water is denser than hot water. Knowing this I formed my hypothesis.
Purpose: The purpose of this experiment was to determine the molar mass of unknown #43 using the derived freezing point depression. To obtain the freezing point depression, t-butyl alcohol was placed in a cold-water bath and frozen solid for a total of two runs. Then, unknown #43 was dissolved in t-butyl alcohol and placed in a cold-water bath until frozen solid. This process was repeated for a total of three runs, with the first two runs containing half of the unknown, and the last run containing the full amount of unknown.
In the next steps the density of water between 30-40 °C, 40-50 °C and 50-60 °C was measured. Then our results ρ vs T and also density vs temperature values given in the Steam Tables were plotted on the same graph in order to compare. In the second part the density of water was measured by density bottle. The densities obtained from the experiment are 995, 992.5, 991, 990 kg/m3 for the first part and
The mass of an 11 dram vial was taken before and after it was filled with 15 mL of distilled water, resulting in a mass of 29.9667 grams without the distilled water and 44.7771 grams with the distilled water. The looped wire was inserted into the 11 dram vial, to be used for stirring. The 11 dram vial was then submerged into the ice bath, and the Vernier temperature probe was immersed into the 11 dram vial. Once the temperature of the distilled water reached 10°C, the temperature was recorded every 10 seconds. After the data was collected, the 11 dram vial was brought back to room temperature.
The data table provided below obtained melting point data for crude product, pure product, and mixture of the pure and 4-tert-butylbenzyl. 12. The TLC data obtained is provided in a table below. The TLC data was conducted solely in a 9:1 hexane/ethyl acetate solvent solution as opposed to the 1:1 and pure hexane solution as well. This was due to the lack of time, but as explained in number 7, a very polar solvent (1:1 solution) or non-polar solvent (pure hexane) is not ideal when obtaining
Discussion: The mass of the lye was taken twice, and the mass of half a teaspoon of lye is 3.3 grams, as 1 teaspoon of lye was 6.6 grams. The initial temperature of the vinegar was 16.0° C. For the first trial, the final temperature was 31.0°C, meaning the ∆T was 15.0°C. The final temperature for the second trial was 33.5°C, which indicates that the ∆T was 17.5°C.
Rediet Legese iLab Week # 6 CRUDE OIL DISTILLATION Introduction: The aim of this week lab experiment is to experiment distill crude oil and to check how temperature determine the chemical properties of crude oil plus how the boiling point can also show physical properties. They are two major finding in this experiment. he first finding was the point at which the raw petroleum is heated to the point of boiling, at 275 0C, the gas and kerosene oil are refined, however the oil (lubricant ) stays as an unrefined feature oil.
Introduction Solubility is a chemical property that is measured in terms of the maximum amount of solute dissolved in a solvent at equilibrium. The resulting solution is called saturated solution. For example when a sample of sodium chloride solution in water is heated the behavior of the reaction is endothermic obstructing exothermic behavior. Another relationship that can be said about solubility is that the solubility of a solid substance increases as the temperature increases. The solubility of solutes is dependent on temperature.