Experimental And Computation Vibration Rotation Spectroscopy For Carbon Monoxide Through The Use Of High Resolution Infrared (Ir) Spectra

1886 words - 8 pages

Experimental and Computation Vibration-Rotation Spectroscopy for Carbon Monoxide Through the Use of High-Resolution Infrared (IR) Spectra

The goal of this experiment is to study the most precise way of measuring molecular bond lengths and introduction to computational software used for studying molecular properties. This is of interest in that the instrument to being used, a Fourier-transform infrared (FT-IR) spectrometer, can measure the vibrational and rotational transitions of the fundamental and first overtone of CO. Through this experiment the objective is to collect data from the aforementioned instrument in order to determine vibrational and rotational spectroscopic constants and CO’s bond length, then to compare them with quantum chemical calculation.
Experimental and Computational Methods:
- A Nicolet Nexus 670 IR Spectrometer was used.
- OMNIC software was used.
- Gaussian 98 software was used
- OMNIC software was open on the computer connected to the spectrometer.
- For data collection the following parameters were set up; in Smart Accessory Change window click OK and make sure setting is on Transition E.S.P., under Collect and Experimental Setup set scan number to 20 and resolution to 0.5 on the Collect tab, on the Bench tab selected a window material and wavelength number range (1950-2250 cm-1 for (v’=1 v’’=0) and 4100-4350 cm-1 for (v’=2  v’’=0)), on the Quality/Parameter tab made sure box was unchecked next to “special range…” and selected the maximum resolution, and clicked ok.
- A saved background sample was selected for each of the two overtones from the files under the Browse option located under the Collect section of Experimental Setup under Collect.
- A cell filled with CO was taken from storage and placed into the spectrometer Col Smpl was selected.
- When the sample was collected text orientation was selected to be Perpendicular to x-axis under the Options section of Edit, Find peaks was selected from under Analyze, the baseline was clicked to include all peaks, and the file was printed.
- The wavenumber was changed to that for the second overtone and the previous two steps were completed for that wave range.
- All devices and equipment were cleaned and returned to their rightful places and the lab area used was also tidied up.
- For computation a computer in the CP computer lab was utilized.
- The GaussView program was selected and a new molecule was built.
- Once in the program Element and C was selected under the Builder Window, then center of the View1: New window was clicked to make a CH4 molecule appear.
- Again under the Element section O was selected and the same window as previously was clicked to create a water molecule.
- A triple bond is made selecting Bond under Builder, highlighting C and O, and clicking Triple Bond.
- Delete was clicked to get rid of excess atoms and the bond length was optimized by selecting Clean.
- Next, by highlighting...

Find Another Essay On Experimental and Computation Vibration-Rotation Spectroscopy for Carbon Monoxide Through the Use of High-Resolution Infrared (IR) Spectra

Photosynthesis: The Emergence and Early Evolution of Biological Carbon-Fixation.

1097 words - 4 pages thermoacetica employed a pathway similar to fermentation of glucose for carbon fixation (Drake, Gossner and Daniel, 2008). This was confirmed by the use of mass spectroscopy to determine the acetate released from the fermentation containing a given percentage of carbon dioxide. Moreover, researchers discovered that carbon 3 and carbon 4 were the main sources of CO2 fixed into acetate. In this process, two glucose molecules are converted into pyruvate

Hip Rotation Range of Motion in People with and Without Low Back Pain Who Participate in Rotation-Related Sports

2786 words - 11 pages in passive range of hip rotation motion between the groups with and without low back ache. Studies about passive hip rotation motion in people with low back pain in which, hip lateral rotation was greater than the medial rotation on the side that was associated with the symptoms of low back pain. All this studies suggest a relationship between hip rotational mobility and low back pain. Potential reason for the equivocal findings could

Conflict management and resolution of a public school (Randwana High School)

2920 words - 12 pages of Martin and Cheryl•apply job design and job analysis, conflict management and resolution in RHS in order to solve the conflict.•Try to explore diversity management, advise against using performance appraisals as a judgement base for termination and or promotion in RHS vis-a-vis the conflicts between Cheryl and Martin.2.Background of the SchoolThe name of the school is Randwana High School (RHS) It has about 2000 students and 63

Meeting of the Minds at a Higher Gear: Evolution through Resolution

1860 words - 7 pages Meeting of the Minds at a Higher Gear: Evolution through Resolution Conflict resolution is a challenging task. Typically for the participating parties it is an experience beyond the physical world; it is about an emotional state. Emotions run high and the facilitator’s role takes on different forms as the process moves forward towards the finish line. Good skills are only as effective if the yield an acceptable, and preferably an

The Resolution of Conflicts

1851 words - 7 pages , got back to his room but could not stop crying for hours and hours until receiving the news from the watchman that the lawyer had fled through the windows. He arrived at the basement later, took the notes and locked it up in the fireproof safe. In the beginning of the note, the lawyer listed how much things he had experienced just by reading the books from the banker. The lawyer experienced from things average people usually enjoyed (drinking

The Effect of Speed of Word Presentation on the Primacy and Recency Effect in Free Recall: A report done for an experimental psychology class

1741 words - 7 pages will be recalled depends on that position of the word within the list of words being read. Words that were presented at the beginning and end of the list were more likely to be recalled than those words presented in the middle of the list. These effects have since been referred to as the primacy and recency effect respectfully. (Glietman 1994)In Murdock's experiment, lists of word stimuli was read to the subjects at the rate of one word for every

Vibrational data discussion on the Adsorption of Phosphate on Pt(111) and Pt(100) studied in situ FTIR spectroscopy

815 words - 3 pages crystals.In conclusion, the author and partners prove, in this experiment, that in mild acidic solutions (at pH of 2.8, as in the first part), the same modes are observed in the spectra for both Pt(111) and Pt(100) surfaces. Also the same v - E behavior was the same in both platinum crystals. This experiment was very interesting to read through, since we could imagine what species are dominating at either pH solution.

The Creation of Didactic Works Through the Use of Point of View and Genre

1090 words - 5 pages to develop their message without explicitly claiming it. Another contrasting component in both pieces is the representation of the story through the use of point of view and genre in the descriptions of the antagonist and animals. In “Wolf Lake”, the girl’s past lover is seen as the antagonist for he attempts to take her life by stabbing her. However, she recalls the incident as ‘my blood surprising as paper snakes’ which has a positive

The Impact of GPA, Multiple Clinical Rotations, and the Sequence of the Clinical Rotation on Graduates' of College of Pharmacy Performance on the NAPL

1513 words - 6 pages three or more rotations in a sequence without interruption. In this case a student will have three or more clinical rotations in sequence for example in month one - internal medicine, month two - infectious disease and moth three - critical care rotation. The college of pharmacy GPA of 3.0 or better is considered a high GPA, while a GPA of 3.0 or less is considered low GPA. A score of 75 is considered a passing score in the NAPLEX test, a score

Pushing the Boundaries of Experimental Literature

807 words - 3 pages act of storytelling itself. Therefore it is a writers’ job to find innovative ways to craft a story, without pushing boundaries for the sake of shock value, or to play devil’s advocate. As opposed to the realist and naturalist movements which proceeded, experimental literature puts forth the notion that content is subordinate to the form of the text. Experimental novelists such as, Alain Robbe-Grillet, Kenneth Goldsmith, and Dan Farrell, use

Describe the main features of qualitative research and compare the advantages and disadvantages with experimental research.

1575 words - 6 pages be unintentionally contaminated through both the false consciousness of participant delusions of reality (Megee, 2001) or intentional falsehoods.A qualitative theory is likely to be formed upon the affinity between multiple studies rather than in single isolation, as is the case for experimental research. Any theory is then left open for other researchers to build on. Readers have access to the original raw data and can themselves evaluate the

Similar Essays

Experiment 1: Ir Unknown/Spectroscopy Assignment Fourier Transform Infrared Spectroscopy

2725 words - 11 pages Purpose: The purpose of this experiment is to practice the usage of infrared spectroscopy and to identify the unknown compound # 53 using Fourier-Transform Infrared Spectrometer. From the IR spectroscopy, specific functional group peaks are noted and used to aid the identification of the unknown organic compound. Furthermore, in this experiment, another unknown will be given and researched upon its spectral data.Main Reaction: There is not

The Widespread Use Of Offshore Wind Turbines For Low Carbon Power Generation

573 words - 2 pages 07836343905. As a country develops, its hunger for the power grows. More Power generated means more green house gases produced. Pollution must be stopped and for that, safe methods of power generation are required. UK is a developed country with large power consumption and contributes in pollution. Search for low carbon power generators led them to use wind power in which energy is developed in more natural means. So the use of offshore

The Carbon Footprints Of Sony And Dell

2031 words - 8 pages The Carbon Footprints of Sony and Dell Abstract The purpose of this project was to investigate the carbon dioxide emissions of Sony Corporation and Dell, Inc. through the use of resources and the manipulation of rudimentary calculations and conversions. However, this comparison was not accurate because of lack of data on Dell's part. The significance of the data produced is it shows and compares the environmental efficiency of the

Proposed Resolution To The High Foreclosure Problem

1989 words - 8 pages Home foreclosure has serious consequences for homeowners and lending institutions. The family losing their home suffers tragic loses financially and emotionally. Lenders suffer monetary losses anywhere from “twenty to sixty cents on the dollar” (FDIC/Foreclosure Statistics 2). Home foreclosure can never be eliminated but it can be reduced. What is causing the increase in numbers of foreclosures and what can be done to resolve high