Shakib, Farnaz

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Digital Commons @ New Jersey Institute of Technology (NJIT)

New Jersey Institute of Technology Digital Commons @ NJIT Chemistry, Environmental and Forensic Science Syllabi NJIT Syllabi Fall 2023 CHEM 658-103: Advanced Organic Chemistry Farnaz Shakib Follow this and additional works at: https://digitalcommons.njit.edu/chem-syllabi Recommended Citation Shakib, Farnaz, "CHEM 658-103: Advanced Organic Chemistry" (2023). Chemistry, Environmental and Forensic Science Syllabi. 520. https://digitalcommons.njit.edu/chem-syllabi/520 This Syllabus is brought to you for free and open access by the NJIT Syllabi at Digital Commons @ NJIT. It has been accepted for inclusion in Chemistry, Environmental and Forensic Science Syllabi by an authorized administrator of Digital Commons @ NJIT. For more information, please contact digitalcommons@njit.edu.     Chemistry:   Fall 2023 Course Syllabus   NJIT Academic Integrity Code: All Students should be aware that the Department of Chemistry & Environmental Science (CES) takes the University Code on Academic Integrity at NJIT very seriously and enforces it strictly. This means that there must not be any forms of plagiarism, i.e., copying of homework, class projects, or lab assignments, or any form of cheating in quizzes and exams. Under the University Code on Academic Integrity, students are obligated to report any such activities to the Instructor.   COURSE INFORMATION  Course Description: Principles and applications of quantum chemistry; the wave equation, its properties and mathematics; the Schrodinger equation and wave functions; the harmonic oscillator; atomic theory, structure, and properties; simple molecules, LCAO and valence bond theories; time dependence, and introduction to electronic and vibration-rotation spectroscopy.  Number of Credits: 3  Prerequisites:          One year of undergraduate physical chemistry  Course-Section and Instructors  Course-Section Instructor  CHEM 658-103, F 6pm – 8:50 pm  Farnaz A. Shakib  Course Presentation: In-person Mode                                  In person: Tiernan hall Room 111                             Course Partitions:                              Lectures September 8 – December 22 (12 lectures plus 3 exams)  Office Hours:  By email, can be arranged as in-person (Tiernan hall Rm 368) or through WebEx at the instructor’s personal WebEx room (https://njit.webex.com/meet/shakibnjit.edu).                    Required Textbook:  Title Quantum Chemistry Author Donald A. McQuarrie Edition Second Publisher University Science Books ISBN # 978-1-891389-50-4  University-wide Withdrawal Date: The last day to withdraw with a W is Monday, November 13, 2023. It will be strictly enforced.  Learning Outcomes: At the end of the course, the student will be able to  • Describe the concept of energy quantization and wave-particle duality of light and matter  • Describe the differences between classical and quantum mechanics  • Construct the Schrödinger equation for simple systems  • Normalize a wavefunction and calculate the probability density of a system in a region  • Construct quantum chemical operators and determine expectation values of observables  • Describe the solution of the Schrödinger equation for a free motion in one dimension and confined motion in one and two dimensions and calculate their properties.  • Use the separation of variables technique  • Describe the solution of the Schrödinger equation for a harmonic oscillator and calculate it’s properties.  • Describe the solutions of the Schrödinger equation for hydrogenic atoms and their properties: quantum numbers, orbital energies, classification in shells  • Construct a wavefunction for a many-electron atom using the orbital approximation  • Interpret atomic spectra of hydrogenic atoms and complex atoms using selection rules and assign term symbols to electronic states of atoms  • Explain the concept of hybridization and molecular orbital theory  • Assign ground state electron configurations to homo- and heteronuclear diatomic molecules  • Use the Hückel approximation to calculate the π-electron binding energy in aromatic molecules.  • Explain the fundamental concepts of absorption and emission spectra  • Calculate moments of inertia of simple molecules and classify them as rotors  • Interpret IR-spectra of diatomic and polyatomic molecules using selection rules  • Interpret electronic spectra of molecules using selection rules   Canvas: There is a course Canvas site that will include significant resources and updates of importance to this course. Please check it frequently, and also make sure to check or forward your NJIT email in order to receive important announcements. Furthermore, all the office hours and discussions will be conducted through Canvas.   POLICIES All CES students must familiarize themselves with, and adhere to, all official university-wide student policies. CES takes these policies very seriously and enforces them strictly.              Grading Policy: The final grade in this course will be determined as follows:  Homework 25 Class Participation Solving problems in class, active role in asking and answering questions  20 Midterm Exam I 15 Midterm Exam II 20 Final Exam 20  Your final letter grade in this course will be based on the following tentative curve:   A 88-100 C 60-64.5 B+ 78-87.9 D 55-59.9 B 70-77.9 F < 55 C+ 65-69.9      Attendance Policy: Attendance at all classes is not mandatory but extremely encouraged due to the nature of the topic which cannot be simply learnt through “getting the notes.”   Homework Policy: Homework is an expectation of the course. The homework problems set by the instructor are to be solved by each group and handed in for grading one day before the class (i.e. till 6pm on the Wednesday before the class). The group members will decide on how to collaborate on solving the problems. Only one homework is needed to be handed in by each group and all the members of the same group will be graded similarly. So, the group members have to be in full coordination. Graded homework will be returned the next day after the lecture. Each group will solve one problem of their choice in the following class which contributes to the grading of “class participation”. It is the responsibility of students to share the solutions of the problems with each other. So, they need to know people in their group and in their class!  Exams: There will be two midterm exams during the semester and one final exam. Note that all exams will be held online. Each exam covers the materials discussed during 4 prior lectures.  Midterm Exam I October 06 (first 4 lectures) Midterm Exam II November 10 (second 4 lectures) Final Exam Period December 22 (third 4 lectures)  The exams are closed book/notebooks but students are allowed to prepare a double sided A4 page of any material related to class and keep it with themselves during the exam. A picture of this information sheet should be uploaded to Canvas along with the answers to the exam problems.  Makeup Exam Policy: There will normally be NO MAKE-UP EXAMS during the semester. In the event that a student has a legitimate reason for missing an exam, the student should contact the Dean of Students office and present written verifiable proof of the reason for missing the exam, e.g., a doctor’s note, police report, court notice, etc. clearly stating the date AND time of the mitigating problem. The student must also notify the CES Department Office/Instructor that the exam will be missed so that appropriate steps can be taken to make up the grade.       Cellular Phones: All cellular phones and other electronic devices must be switched off during all class times. Such devices must be stowed in bags during exams or quizzes.   ADDITIONAL RESOURCES  Accommodation of Disabilities: Office of Accessibility Resources and Services (formerly known as Disability Support Services) offers long term and temporary accommodations for undergraduate, graduate and visiting students at NJIT.  If you are in need of accommodations due to a disability please contact Chantonette Lyles, Associate Director at the Office of Accessibility Resources and Services at 973-596-5417 or via email at lyles@njit.edu. The office is located in Fenster Hall Room 260. A Letter of Accommodation Eligibility from the Office of Accessibility Resources Services office authorizing your accommodations will be required.  For further information regarding self-identification, the submission of medical documentation and additional support services provided please visit the Accessibility Resources and Services (OARS) website at:  http://www5.njit.edu/studentsuccess/disability-support -services/  Important Dates See: Fall 2021 Academic Calendar, Registrar                                                    https://www5.njit.edu/registrar/calendars/  Date Day Event September 5 T First Day of Classes September 11 M Last Day to Add/Drop a Class Last Day for 100% Refund, Full or Partial Withdrawal September 12 T W Grades Posted for Course Withdrawals September 18  M Last Day for 90% Refund, Full or Partial Withdrawal   No Refund for Partial Withdrawal after this date October 2 M Last Day for 50% Refund, Full Withdrawal October 23 M Last Day for 25% Refund, Full Withdrawal November 13 M Last Day to Withdraw November 22 W Friday classes meet November 23 R Thanksgiving Recess Begins (No classes) November 26 Su  Thanksgiving Recess Ends  December 13 W Last Day of Classes  December 14 R Reading Day 1 December 15 F Reading Day 2 December 17 Su Final Exams Begin December 23 S Final Exams End December 25 M Final Grades Due        Course Outline  Lecture Date                       Topic (Tentative) Assignment (Tentative) 1 09/08/2022 Introduction to quantum theory Chapter 1 (5 problems per groups of 5 or 6 students) 1,4,5,6,12,13,16,19,23,24,32,33,34,39,40,42,44,46,48,49 2 09/15/2022 Classical wave equation/Complex numbers Chapter 2 (3 problems per group) 2,3,4,5,7,11,12,17,18,24,26,28 Mathchapter A (1 problem per group)  1,2,3,4 3 09/22/2022 Schrödinger equation/Probability/Particle in a box Chapter 3 (2 problems per group) 9,11,12,18,21,22,23,25 Mathchapter B (1 problem per group) problems 1-4 4 09/29/2022 Operators/3D Schrödinger equation/More on probability Chapter 3 (2 problems per group)  2,3,6,8,29,30,31,35 5 10/06/2022 Midterm exam I (First 4 lectures)  6 10/13/2022 Postulates of quantum mechanics Chapter 4 (3 problems per group) 1,3,6,10,16,18,22,26,32,39,43,45 7 10/20/2022 Harmonic oscillator/Vibrational spectroscopy Chapter 5 (3 problems per group) 2,4,6,13,15,20,22,24,26,29,32,36 8 10/27/2022 Rigid rotator/Spherical coordinate/Rotational spectroscopy Chapter 6 (3 problems per group) 1,2,5,7,10,12,15,18,20,24, 38,41 Chaptermath E (1 problem per group) 2,6,9,11 9 11/03/2022 Hydrogen atom Chapter 7 (3 problems per group) 1,3,5,7,9,12,13,14,18,22,24,27      10 11/10/2022 Midterm exam II (Second 4 lectures)  11 11/17/2022 Eigenvalue problem: vectors or matrices Mathchapter C (2 problems per group) 2,4,6,8,10,12,14,16  Mathchapter G (2 problems per group) 2,4,6,8,10,12,14,16  12  11/22/2022 Wednesday Many-electron atoms Chapter 9 (3 problems per group).     1,2,3,4,18,22,25,27 13 12/01/2022 The chemical bond: one and two-electron molecules Chapter 10 (2 problems per group) 1,4,8,14 14 12/08/2022 Theory of chemical bonding Chapter 11 (4 problems per group) 5,6,7,10,11,13,15,16,22,24,27,28,35,37,39,41  15 12/22/2022 Final exam (Third 4 lectures)   

CHEM 658-103: Advanced Organic Chemistry

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CHEM 658-103: Advanced Organic Chemistry

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