Quantum mechanics teaching physical chemistry

We have been teaching physical chemistry with a kinetics-first orientation for 13 years. Over the course of this past decade we have also examined our students using the ACS Comprehensive Standardized Exam. Form 1995 (16) was used from 1996 through 2003 and Form 2002 (17) was used in 2004 and 2005. This comprehensive exam has been administered at the end of physical chemistry II covering quantum chemistry and spectroscopy. Both versions divide the 60 multiple choice questions into the three canonical areas, T, Q, and D, with the 1995 version assigning 20 questions each to the three areas. The 2002 version assigns 15 questions to the dynamics section and 25 to the quantum section. A few statistical mechanics questions are also scattered among these sections. 

During the many years of my teaching spectroscopy in chemistry and physics, Mossbauer spectroscopy has always been my favourite for several reasons The students become familiar with fundamental aspects on solid state and experimental physics, cry physics, quantum mechanics and theoretical chemistry to name a few. I consider it therefore highly recommendable, even necessary, that Mossbauer spectroscopy and relevant neighbouring fields are always part of the education in physics and chemistry. 

There are a number of good choices, but you will not be completely satisfied with any textbook. 1 was not even completely satisfied when 1 used a textbook that I had written. You will probably choose a textbook that is compatible with your sequence of topics. There is at least one popular two-semester textbook that begins with quantum mechanics. (P) Most of the one-volume textbooks begin with thermodynamics but can accommodate different sequences. There are now physical chemistry textbooks that come in two or even four volumes, which provides for flexibility. In making your choice of textbook, you should consider clarity of presentation for the student. Because you are already familiar with die subject, this can be hard for you to judge. I once chose a textbook that seemed perfectly clear to me, but was not at all clear to the students. Next, you should consider the approach of the book. If you want to teach a more mathematically based course, you will probably decide to choose a textbook that uses this approach and not simply plan to provide supplementary information in class. 

Arguments for the presentation of kinetic theory and chemical kinetics as the first topics taught in the initial physical chemistry course are presented. This presentation allows the first topic in physical chemistry to be mathematically more accessible, to be highly relevant to modem physical chemistry practice, and to provide an opportunity to make valuable conceptual connections to topics in quantum mechanics and thermodynamics. Preliminary results from a recent survey of physical chemistry teaching practice are presented and related to the primary discussion. It was found that few departments of chemistry have adopted this order of topical presentation. 

Teaching quantum mechanics first in physical chemistry gives the properly prepared and motivated student a presentation that best represents the most active areas of physical chemistry research. A thermodynamics first approach remains most consistent with the order found in most currently used textbooks avoiding the disorientation associated with skipping around in the textbook early in the course. However, we believe that a large segment of the chemistry major... 

This book is the product of 40 years of distilled experience teaching quantum theory to juniors, seniors and graduate students. It is intended as a less weighty text for one semester of the physical chemi stry sequence or for a stand-alone course in quantum mechanics for students of chemistry, materials science, molecular biology, earth science and possibly even physics. 

Aromaticity is one of the most useful concepts in chemistry. We teach it in undergraduate courses, and we need it in our everyday work as chemists. To abandon this concept because it doesn t have a rigorous physical basis would mean that we would lose a very important tool to interpret and predict the properties of molecules on a qualitative basis. A theoretical physicist or chemist might argue that nowadays properties of molecules can be predicted with almost chemical accuracy. So why do we need qualitative concepts like aromaticity Ifs because chemistry is about more than the prediction of numbers. Chemistry is not a science in a strictly reductionist definition. There is a large part of an engineering-type of reasoning involved in chemistry. The analytic part of chemistry may be covered by quantum mechanics, but the constructive part is not accessible to theoretical methods (e.g., try to set up a wavefunction to solve the problem of chemical synthesis). 

The author uses his rich university teaching experience of 15 years in physical chemistry at West University of Timisoara, Romania, along with his research expertise in treating chemical bond and bonding through conceptual and analytical quantum mechanical methods to explain the concepts. He has been a regular contributor to many physical-chemical international journals Phys Rev, J Phys Chem, Theor Acc Chem, Int J Quantum Chem, J Comp Chem, J Theor Comp Chem, Int J Mol Sci, Molecules, Struct Bond, Struct Chem, JMath Chem, MATCH, etc.). 

The VUB offered a compulsory course on basic quantum mechanics and an introduction to quantum chemistry firom the start of the chemistry curriculum in the early sixties. These lectures were given by Andre Bellemans, a former student of Nobel Laureate Ilya Prigogine at the ULB and still one of his collaborators at that time, specialist in statistical mechanics. In 1974 when Bellemans resigned firom his VUB charge, Henk Lekkerkerker was appointed for teaching the complete range of theoretical physical chemistry courses (including thermodynamics and quantum... 

At this point, I d better define some terms. Theoretical and computational chemistry is really a branch of physical chemistry, and its appeal can be hard to appreciate before you ve had a chance to study the subject during your junior year. In my own undergraduate years (at Michigan State— too long ago ), I remember being mystified by thermodynamics, then enchanted and inspired by quantum mechanics and spectroscopy. You may find the reverse to be true, or you may not be much taken with any of it. But keep an open mind as with most parts of chemistry, you only really understand things the second time around (or when you try to teach it ). 

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