CCL: Summary-- Circular Dichroism (CD)

 Sent to CCL by: "Telkuni Tsuru" [telkuni]_[venus.dti.ne.jp]
 Hello, CCLers.
 I've sent following question which relate to circular dichroism(CD).
 ----- Original Question -----
 > I like to know the relationship between the circular dichroism(CD)
 > and quantum chemistry.
 >
 > I've tried to retrieve the books and web-sites which describe the
 > mechanism of the CD with the view point of quantum chemistry(or
 > with quantum chemical words), but I can't find suitable document.
 >
 > Could you recommend me some good papers or web-sites which
 > describe the CD with quantum chemical words ?
 >
 > When I get replies, I will summarize them and upload to this ML.
 I've received good replies. Thank you so much to whom send the reply.
 Now I'm reading the recommended articles.
     Here is the summary.
 1) from Mariusz Sterzel --------------
 Hello,
 I would also suggest:
 E. U. Condon Rev. Mod. Phys. 9, 432-457 (1937).
 Henry Eyring, Han-Chung Liu, Dennis Caldwell;
 Chem. Rev.; 1968; 68(5); 525-540.
 Walter J. Kauznman, John E. Walter, Henry Eyring;
 Chem. Rev.; 1940; 26(3); 339-407.
 Mariusz
 2) from Daniel Crawford -------------- [Sorry. His pdf is omitted.]
 Telkuni,
 I have just written a review article summarizing quantum chemical evaluation
 of various chiro-optical properties, including CD.  I've attached a preprint
 of the paper, which is in press in Theoretical Chemistry Accounts.
 -Daniel Crawford
 3) from Marcel Swart --------------
 See the website of Jochen Autschbach where many papers deal with CD spectra:
 http://www.nsm.buffalo.edu/~jochena/publications/publications.html
 ----
 dr. Marcel Swart
 Theoretische Chemie
 Vrije Universiteit Amsterdam
 Faculteit der Exacte Wetenschappen
 De Boelelaan 1083
 1081 HV Amsterdam
 The Netherlands
 Tel +31-(0)20-5987619
 Fax +31-(0)20-5987629
 E-mail m.swart-#-few.vu.nl
 Web http://www.few.vu.nl/~swart
 4) from Rajan Vatassery --------------
 Dear Dr Tsuru,
 I found "circular dichroic spectroscopy, exciton coupling in organic
 stereochemistry" by Harada/Nakanishi extraordinarily helpful. it is
 however, a bit too basic for many concepts but the references within
 (especially Condon's) are quite insightful. unfortunately the most
 useful reference in there is Rosenfeld's 1928 article in Z Phys, which
 is in german. it is also not available (to my knowledge) online as
 apparently nobody has scanned it in.
 in the above harada/nakanishi book, chapters 1 and 10 are the only ones
 germane to your interest.
 good luck and let me know (on the ML) if you find a particularly good
 reference.
 raj
 5) from Olli Lehtonen --------------
 Hi,
 I was also recently looking for a similar thing. Here are a couple
 references I found useful.
 Both basic theoretical aspects and applications of CD are covered in a
 book
 Circular Dichroism: Principles and Applications, 2nd Edition
 Nina Berova, Koji Nakanishi, Robert W. Woody
 Wiley-VCH (2000)
 Technical things how to calculate CD spectra using time-dependent DFT can
 be found in article
 An improved method for density functional calculations of the
 frequency-dependent optical rotation
 Grimme S, Furche F, Ahlrichs R
 CHEMICAL PHYSICS LETTERS 361 (3-4): 321-328 JUL 30 2002
 I'm looking forward to your summary.
 regards,
 Olli Lehtonen
 ----------------------------------------------------
       Telkuni Tsuru     telkuni%x%venus.dti.ne.jp
             Bunshi Gijyutu