Spectroscopic Methods in Chemical Analysis

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The aim of the course is to familiarize students with the fundamentals of the most important spectroscopic methods used in the structural analysis of organic compounds, with particular emphasis on the interpretation of the obtained data. The course will also cover the basic principles of the operation of research equipment and measurement procedures.

Study Profile: general academic

Form of Studies: full-time

Course Type: compulsory

Field: exact and natural sciences

Discipline: chemical sciences

Year of Studies/Semester: Year II, 1st Cycle (Bachelor's), Summer or Winter Semester

Prerequisites: none

Number of teaching hours by form of instruction: 30 hours

Teaching methods: teacher-led instruction, problem-based learning, group work, discussion, brainstorming.

ECTS Points: 3

Student Workload Balance

Total student workload related to the course: 75 hours / 3 ECTS

Student workload related to activities requiring direct teacher involvement: 37.5 hours / 1.5 ECTS, including:

1) participation in lectures: 0 hours / 0 ECTS

2) participation in post-lecture classes: 30 hours / 1.2 ECTS

3) participation in consultations/credits/exams: 7.5 hours / 0.3 ECTS

Preparation for classes/credits/exams (student's own work): 37.5 hours / 1.5 ECTS

Percentage of student's independent work: 50%

Literature:

1. McMurry, J. E. (2015). Organic Chemistry (9th ed.). Cengage Learning.

2. Balci, M. (2005). Basic 1H- and 13C-NMR Spectroscopy. Elsevier.

3. Silverstein, R. M., Webster, F. X., & Kiemle, D. J. (2005). Spectrometric Identification of Organic Compounds (7th ed.). John Wiley & Sons.

4. Nowick, J. S. Organic Spectroscopy [Online lecture series]. University of California, Irvine, Department of Chemistry. Retrieved from https://ocw.uci.edu/courses/chem_203_organic_spectroscopy.html

5. NMR Prediction Tools e.g. from https://www.nmrdb.org/

KNOWLEDGE:

• The student explains the physical basis of techniques UV-VIS, IR, NMR, MS, and can list the information obtained from each of them (KP6_WG5, KP6_WG12).

• The student defines key terms of the learned techniques (e.g., chromophore, chemical shift, multiplicity, coupling constant, fragment ions) and explains their significance for spectrum interpretation (KP6_WG5, KP6_WG9).

• The student characterizes sample preparation methods, measurement techniques, and factors influencing the shape of spectra (e.g., influence of ionization energy in MS, hydrogen bonding in IR, anisotropy effect in NMR) (KP6_WG12).

• The student lists characteristic chemical shift ranges for ¹H and ¹³C NMR and absorption bands for main functional groups in IR, using correlation tables (KP6_WK2).

ABILITIES:

• The student converts spectroscopic units (wavelength, frequency, wavenumber) and converts chemical shift values δ [ppm] to Hz and vice versa, depending on the spectrometer's operating frequency (KP6_UW1, KP6_UW6).

• The student analyzes MS spectra of simple compounds, recognizing molecular, fragment, and isotopic ions (including for compounds containing halogens. (KP6_UW2).

• The student interprets first-order ¹H NMR spectra, determining the number of signals, their chemical shift (δ), multiplicity, coupling constant (J), and the number of protons represented by the signal (KP6_UW1, KP6_UW2, KP6_UW6).

• The student interprets ¹³C NMR and DEPT spectra (KP6_UW2).

• The student identifies functional groups in simple organic compounds based on IR spectra and predicts the influence of substituents on the chemical shifts of aromatic proton signals (KP6_UW2, KP6_UW6).

• The student performs interpretation of IR, ¹H NMR, ¹³C NMR, and MS spectra of simple organic compounds to confirm their structure (KP6_UW1, KP6_UW2, KP6_UW6).

• The student prepares textual description of spectra according to a given template, assigning signals to appropriate atoms in the molecule (KP6_UW2, KP6_KK2).

• The student can work independently on spectrum interpretation and also cooperate effectively in a team, sharing ideas and integrating information from other group members to solve complex interpretation problems (KP6_UU2).

SOCIAL COMPETENCES:

• The student is ready to critically assess the reliability of spectroscopic data interpretation presented in specialist literature and media (KP6_KK1, KP6_KR2).

• The student demonstrates readiness to independently expand knowledge in spectroscopy by searching for information in specialist literature and databases (KP6_UU2, KP6_KR2, KP6_WK2).

• The student understands the need to systematically familiarize themselves with basic sources of chemical information (journals, patents, books, databases) and to critically use artificial intelligence (AI) tools for searching and preliminary analysis of spectroscopic data (KP6_KK1).

Course credit requirements: graded credit.

Assessment methods:

1. Written test.

2. Systematic assessment of work during tutorial classes.

The grading criteria are in accordance with the adopted University of Białystok (UwB) Study Regulations.

Flexible forms of course credit are possible, agreed upon between the instructor and the student in line with the principles of universal design for learning, provided that such conditions are established at the beginning of the teaching cycle.

The scope and manner of using AI tools will be specified for particular cases (tasks). In the absence of such specification, the rules for AI use outlined in the Rector's Ordinance of the University of Białystok on the use of artificial intelligence systems in the education process at the University of Białystok shall apply.