1 Chemical Information CHEM391 Spring Semester 2007 by Prof. Ben Zhong Tang ( 唐 本忠 )

2 Introduction, Instruction, Teaching Schedule, Course Requirements, and Objectives Part 1

3 Instructors: Prof. Ben Zhong Tang (BZT) Rm. 4532; Tel. x7375; Mr. Steve Yip, Librarian (SY) Tel. x6756; Class Times Mondays, 16:00-16:50 (4:00-4:50 PM) and Venue: Rms & 4402 (Computer Barn A) Instruction TA: Mr. Jianzhao Liu Rm. 7140; Tel. x7396; Prerequisite of Chem392 Students with PASS grade will proceed to Chem392

4 Prerequisites:Basic knowledge of nomenclature of chemical compounds Basic knowledge of library facilities is assumed Prerequisites, Textbook, and Accessories Grading:Pass/Fail based on - attendance (2-times absence of class: fail ) - search assignment (Report not sent in on time: fail ) Requirements:Attendance at Lectures Participation in class exercise Pass in literature search assignment

Teaching Schedule (Total: 6 weeks) Introduction 1 st week (Jan 29) BZT/4621 Library resources 2 nd & 3 rd weeks (Feb. 5 & 12) SY/4621 Primary/secondary literature 4 th week (Feb 26) BZT/4621 Search demonstration 5 th week (March 5) BZT/4402 Search practice 6 th week (March 12) BZT/4402

6 Prerequisites, Textbook, and Accessories R. E. Maizell “How to Find Chemical Information” 3 rd Ed. Wiley, New York 1998: QD 8.5 M “Information Sources in Chemistry” 4 th Ed. ed. R. T. Bottle and J. F. B. Rowland, Bowker-Saur, London, 1993: QD G. Wiggins “Chemical Information Sources in Chemistry” 4 th Ed. ed. R. T. Bottle, McGraw Hill, New York, 1991: QD 8.5 M

7 According to Oxford English Dictionary Information: Communication of the knowledge of some fact or occurrence Knowledge of facts Communication about a particular subject Knowledge: The fact of knowing a thing, state, person, etc. Understanding of a branch of learning Theoretical or practical understanding of something Apply to the science of chemistry: An understanding of what things are How they interact and may be manipulated and changed Structure …

8 CHEM 398/PG (M.Phil. or Ph.D.) research, research articles, etc. Course Objectives Why Chemical Information – acquisition of Chemical Knowledge?. Structure of a compound for which you have the trivial name* (see example). Trivial or systematic name for the compound for which you have the structure. Physical properties of a compound. Biological or medicinal properties of a compound. Whether there are similar compounds described in the chemical literature. Method of preparation(s) of a compound. Whether a proposed structure is chemically realistic (see example). An aspect of calculation of a proposed structure, transition state, reaction, etc. Spectroscopic properties of a compound. And so on …… * A common, historic, or convenient name for a substance, derived often from the source in which the substance was discovered, but unsystematic and not used in modern official nomenclature, as sucrose for  -D-fructofuranosyl-  -D-glucopyranoside.

9 What is “Teflon”? What is “Teflon”? Can you make a compound with the following structure? Can you make a compound with the following structure?

10 Knowledge …. assists in the design of the project and development of new experiments Knowledge …. is the basis of insight and explanation Knowledge …. assists creativity, makes you more aware Knowledge …. prevents duplication of previous work … surprisingly frequent! Knowledge …. saves an enormous amount of time Knowledge.… impresses your supervisor or employer Knowledge.… makes you independent Course Objectives (cont.) F For conduct of any research project or exercise, acquisition of relevant information - knowledge of the topic - is absolutely essential

11 Probably over 30 million discrete chemical substances known - elements, chemical compounds, polymers, materials, etc. Enormous mountain of physical and chemical property data - thermodynamic properties (  H,  G,  S ……) - kinetic properties (E a, k, …..) - structural data (bond lengths, angles, symmetry, shape …) - spectroscopic properties (NMR, MS, IR, Raman, UV-VIS …) - electrical, magnetic, and optical properties Enormous number of chemical reactions, synthetic methods, purification methods, etc. Course Objectives (cont.) The objective of the course is to instruct you to access relevant chemical information efficiently, quickly, thoroughly … Not easy Not easy ……!

12 Not easy (cont.) Not easy (cont.) ……! Relevant information may be buried in ……. - one of over 100,000 scientific journals … - one of several million patents …. - a conference paper - a dissertation (M.Phil./Ph.D. thesis or equivalent) - compendia of data or properties - a review or technical report - in an abstract of the original article in Chemical Abstracts or similar abstracting service Relevant information may be in English, Chinese, Japanese, German, French, Italian, Spanish, Russian, … Source may be ‘hard copy’ or ‘electronic’ Course Objectives (cont.) Where do we start? Invited Guest Lecturer: Mr. Steve Yip