CCL: Summary-- Circular Dichroism (CD)
- From: "Telkuni Tsuru"
- Subject: CCL: Summary-- Circular Dichroism (CD)
- Date: Thu, 3 Nov 2005 21:34:52 +0900
Sent to CCL by: "Telkuni Tsuru" [telkuni]_[venus.dti.ne.jp]
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 --------------
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.
2) from Daniel Crawford -------------- [Sorry. His pdf is omitted.]
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.
3) from Marcel Swart --------------
See the website of Jochen Autschbach where many papers deal with CD spectra:
dr. Marcel Swart
Vrije Universiteit Amsterdam
Faculteit der Exacte Wetenschappen
De Boelelaan 1083
1081 HV Amsterdam
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
5) from Olli Lehtonen --------------
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
Circular Dichroism: Principles and Applications, 2nd Edition
Nina Berova, Koji Nakanishi, Robert W. Woody
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.
Telkuni Tsuru telkuni%x%venus.dti.ne.jp