molecules undergoing extreme rotation
DESCRIPTION
Molecules undergoing extreme rotation. Figure 2. Angular distribution of the main fragments observed in the Multi Electron Dissociative Ionization (MEDI) of CO. PRL 82 , 3420 (1999). PRL 85 , 542 (2000). JCP 116, 10636 (2002). Rotational Energy Level Clusters. - PowerPoint PPT PresentationTRANSCRIPT
![Page 1: Molecules undergoing extreme rotation](https://reader035.vdocuments.mx/reader035/viewer/2022062422/56814089550346895dac1426/html5/thumbnails/1.jpg)
Molecules undergoing extreme rotation
![Page 2: Molecules undergoing extreme rotation](https://reader035.vdocuments.mx/reader035/viewer/2022062422/56814089550346895dac1426/html5/thumbnails/2.jpg)
Figure 2. Angular distribution of the main fragments observed in the Multi Electron Dissociative Ionization (MEDI) of CO
![Page 3: Molecules undergoing extreme rotation](https://reader035.vdocuments.mx/reader035/viewer/2022062422/56814089550346895dac1426/html5/thumbnails/3.jpg)
![Page 4: Molecules undergoing extreme rotation](https://reader035.vdocuments.mx/reader035/viewer/2022062422/56814089550346895dac1426/html5/thumbnails/4.jpg)
PRL 82, 3420 (1999)
![Page 5: Molecules undergoing extreme rotation](https://reader035.vdocuments.mx/reader035/viewer/2022062422/56814089550346895dac1426/html5/thumbnails/5.jpg)
PRL 85, 542 (2000)
![Page 6: Molecules undergoing extreme rotation](https://reader035.vdocuments.mx/reader035/viewer/2022062422/56814089550346895dac1426/html5/thumbnails/6.jpg)
![Page 7: Molecules undergoing extreme rotation](https://reader035.vdocuments.mx/reader035/viewer/2022062422/56814089550346895dac1426/html5/thumbnails/7.jpg)
JCP 116, 10636 (2002)
![Page 8: Molecules undergoing extreme rotation](https://reader035.vdocuments.mx/reader035/viewer/2022062422/56814089550346895dac1426/html5/thumbnails/8.jpg)
![Page 9: Molecules undergoing extreme rotation](https://reader035.vdocuments.mx/reader035/viewer/2022062422/56814089550346895dac1426/html5/thumbnails/9.jpg)
![Page 10: Molecules undergoing extreme rotation](https://reader035.vdocuments.mx/reader035/viewer/2022062422/56814089550346895dac1426/html5/thumbnails/10.jpg)
Rotational Energy Level Clusters
1972 Dorney and Watson CH4 8-fold and 6-fold clusters
1978 Zhilinskii and Pavlichenkov H2O 4-fold clusters (Erb)
1978 Harter and Patterson Rotational energy surfaces and clusters
1991 Lehmann Local mode theory and clusters
1992 Kozin et al H2Se 4-fold clusters observed
1993 Kozin and Jensen H2Se 4-fold cluster theory (Erbs)
1994 Jensen and Bunker H2X 4-fold cluster symmetry
1996 Kozin et al H2Te 4-fold clusters (exp and theory)
1997 Jensen et al Review paper on 4-fold clusters
2000 Jensen Review paper on LMT and clusters
![Page 11: Molecules undergoing extreme rotation](https://reader035.vdocuments.mx/reader035/viewer/2022062422/56814089550346895dac1426/html5/thumbnails/11.jpg)
Emphasis is put on explaining the intimate relationship between local mode vibrations and the formation of both vibrational and rovibrational energy level clusters.
![Page 12: Molecules undergoing extreme rotation](https://reader035.vdocuments.mx/reader035/viewer/2022062422/56814089550346895dac1426/html5/thumbnails/12.jpg)
H2Te Rigid Rotor Energy Levels [E(JKaKc)-E(JJ0)]
JJ,0
JJ,1JJ-1,1
JJ-1,2
JJ-2,2
JJ-2,3
JJ-3,3
JJ-3,4
JJ-4,4
JJ,0JJ,1
JJ-1,1
JJ-1,2
J
Ae=6.26, Be=6.11, Ce=3.09 cm-1
4
4
![Page 13: Molecules undergoing extreme rotation](https://reader035.vdocuments.mx/reader035/viewer/2022062422/56814089550346895dac1426/html5/thumbnails/13.jpg)
Actual H2Te Energy Levels [E(JKaKc)-E(JJ0)]
J
JJ,0JJ,1JJ-1,1
JJ-1,2
JJ,0
JJ,1JJ-1,1
JJ-1,2
JJ-2,2
JJ-2,3
JJ-3,3
JJ-3,4
JJ-4,4
![Page 14: Molecules undergoing extreme rotation](https://reader035.vdocuments.mx/reader035/viewer/2022062422/56814089550346895dac1426/html5/thumbnails/14.jpg)
1R 1L
2L2R
1
2
1
11
22
2
JJ,0JJ,1JJ-1,1
JJ-1,2
in C2v(M)
![Page 15: Molecules undergoing extreme rotation](https://reader035.vdocuments.mx/reader035/viewer/2022062422/56814089550346895dac1426/html5/thumbnails/15.jpg)
Kinetic Tunneling
We can write
For one form (12), E*, and (12)* are not feasible. “A dynamical barrier”.
Thus the MS group is just {E} for each form and it must be chiral.
1L 1R 2R 2L
J even J odd
A1 B2
B1 A2
A2 B1
B2 A1
![Page 16: Molecules undergoing extreme rotation](https://reader035.vdocuments.mx/reader035/viewer/2022062422/56814089550346895dac1426/html5/thumbnails/16.jpg)
1R 1L
2L2R
2
11
11
2
2 2
WHAT ARE THE LIFETIMES OF SUCH “DYNAMICALLY” CHIRAL STATES
![Page 17: Molecules undergoing extreme rotation](https://reader035.vdocuments.mx/reader035/viewer/2022062422/56814089550346895dac1426/html5/thumbnails/17.jpg)
at t=0
at time t
Using
2
![Page 18: Molecules undergoing extreme rotation](https://reader035.vdocuments.mx/reader035/viewer/2022062422/56814089550346895dac1426/html5/thumbnails/18.jpg)
Probability of being in |1R> at time t is:
For high J: ∆J i.e.
![Page 19: Molecules undergoing extreme rotation](https://reader035.vdocuments.mx/reader035/viewer/2022062422/56814089550346895dac1426/html5/thumbnails/19.jpg)
(Half-life)
Time for probability to have decreased to 1/2
![Page 20: Molecules undergoing extreme rotation](https://reader035.vdocuments.mx/reader035/viewer/2022062422/56814089550346895dac1426/html5/thumbnails/20.jpg)
∆J as function of J∆J
Zhilinskiiand
Pavlichenkov
![Page 21: Molecules undergoing extreme rotation](https://reader035.vdocuments.mx/reader035/viewer/2022062422/56814089550346895dac1426/html5/thumbnails/21.jpg)
Half-life as function of J
![Page 22: Molecules undergoing extreme rotation](https://reader035.vdocuments.mx/reader035/viewer/2022062422/56814089550346895dac1426/html5/thumbnails/22.jpg)
The prequel to
and now for something completely different...
IOP Publishing, Bristol, UK
Expected publication date: December 2004,
380 pages, expected price 65 US$
http://bookmark.iop.org/bookpge.htm?&isbn=0750309415
(or see our homepages)