Congratulations with the beginning of the New Academic Year and of the Fall 2012 Semester!

Transcription

1 : Congratulations with the beginning of the New Academic Year and of the Semester! I wish you the great success in your learning, in your progress towards becoming a professional and in any research with Rutgers Faculty you may be engaged in! 1

2 My Faculty Webpage: : Important Links The Office of the Registrar: Academic Calendar and Schedule of Classes Sakai site and PChemI Course Site: Schedule and the Syllabus. The Course Book online, W.H. Freeman publisher: Paul Robeson Library: Course Book on reserve. Course book (8 th Edition) is also in Campus Bookstore (used copies): Other editions (6th, 7th, 9th) are acceptable. Buying used books online: 2

3 : Student Questionnaire 3

4 : Topics of Physical Chemistry: This course is designed as an introduction to the principles of Quantum Chemistry. Quantum Chemistry can be viewed as the subdivision of Quantum Mechanics that provides Chemists with the physical models needed to describe atoms and molecules as pertinent to the Chemists needs. Important applications of quantum chemistry are atomic and molecular spectroscopy. They also constitute important fields of Physical Chemistry. 4

5 : Outline of this Course Course syllabus is posted on Sakai website 50:160:345:01 F12. Course Book Physical Chemistry 8 th ed, by Atkins, depaula is on library reserve. Total 26 sessions (Tues and Thurs) this semester, as on sakai site of this course. Two Midterm closed book graded Exams: early October and mid-november. Take two Tue/Thurs out of total 26 Tue/Thurs = 24 regular classes. Six Problem sets (homework). PS #1 is for self assessment, and is not graded. PS #2-6 are graded. Five graded quizzes throughout the semester. One Final closed book exam (December), graded. 5

6 : Final Exam: 6

7 : Final Exam: 7

8 : Physical Chemistry I Course Book Physical Chemistry 8th ed, by Atkins, depaula Content of this Course: Chapter 8: Chapter 9: Chapter 10: Chapter 11: Chapter 13: Chapter 14: Chapter 15: Quantum Theory: Introduction and Principles Quantum Theory: Techniques and Applications Atomic Structure and Atomic Spectra Molecular Orbitals for Polyatomic Systems Spectroscopy 1: Rotational and Vibrational Spectra Spectroscopy 2: Electronic Transitions Spectroscopy 3: Magnetic Resonance 8

9 : Outline of this Lecture Topics of Physical Chemistry; Short history of Physical Chemistry; Physical background of Physical Chemistry; Units Mathematical Background of Physical Chemistry; Logarithms and Exponentials Imaginary Numbers (i). Vectors Standard Calculus Differentiation.Partial Derivatives Integration Other Useful Info Problem Set #1 (self-test) 9

10 : Topics of Physical Chemistry: Chemical phenomena (change of composition of matter) are driven by physical processes; Understanding the relationship between the measurable molecular properties and molecular-level structure of matter; Mechanisms of chemical phenomena can be understood only by utilizing theories/methods of Physics; The parts of Physics are essential that are about electrons and atoms. Chemistry is Physics of Molecules 10

11 : Areas of Physical Chemistry: Chemical bond Reactivity, structure/geometry, electronic properties of molecules Atomic and molecular spectra Instrumental/Spectroscopic methods to learn about structure of molecules/materials Computational chemistry Biophysics, Biophysical chemistry Synthesis/characterization of new materials with desired properties 11

12 : Short history of Physical Chemistry: Ancient times: concepts of atomism. Democritus ( BC). XVII and XVIII centuries: Physical and Chemical phenomena are treated as processes of the fundamentally different kinds; By the end of XIX century: there is no clear border between them. Birth of Physical Chemistry 12

13 : Birth of Physical Chemistry. Founders: Chemists and Physicists Friedrich Ostwald ( ): concept of mole, catalysis and reaction kinetics, equilibria (dissociation constant) Jacobus van 't Hoff ( ): chemical kinetics, equilibrium and thermodynamics, osmotic pressure Svante Arrhenius ( ): theory of electrolytic dissociation, ions, acids and bases, kinetics 13

14 : Physical Background of Physical Chemistry Movement: translation, oscillation, rotation Frequency Distance Force Energy Momentum and spin Charge Field (electric and magnetic) Potential Units of measure 14

15 : History of Physical Chemistry (cont d): Founders of Quantum Chemistry: Physicists and Mathematicians Albert Einstein ( ): photon Niels Bohr ( ): model of the atom Erwin Schrödinger ( ): Schrödinger equation purely mathematical model of chemical object (atom, molecule) 15

16 : Mathematical Background of Physical Chemistry Units and Conversion Factors Logarithms and Exponentials Imaginary Numbers (i) Vectors Standard Calculus Differentiation Partial Derivatives Integration 16

17 : Physical Background of Physical Chemistry Please think of the Physical Units being used in any equation or relation. The wrong units will lead to wrong answers in the case of exams and an overall lesser level of understanding. We will primarily be using atomic units 17

18 : Physical Background of Physical Chemistry Conversion Factors Between Physical Units 18

19 : Mathematical Background of Physical Chemistry Logarithm Rules We are mainly concerned with how to manipulate logarithms in evaluating an expressions. 19

20 : Mathematical Background of Physical Chemistry Exponentials Formula of Leonhard Euler ( ) 20

21 : Mathematical Background of Physical Chemistry Imaginary Numbers (i) Definition: a number with the form bi, where b is a real number and i is Imaginary numbers are often found as part of a complex number, i.e. a + bi The * denotes a complex conjugate z = a + bi z* = a bi i 0 = 1 i 1 = i i 2 = -1 i 3 = -i 21

22 : Mathematical Background of Physical Chemistry Magnitude and Direction Vectors Many of the important quantities we will be calculating or working towards are vector quantities, not scalar. 22