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E. E. : :. : :. A(n=3). A(n=3) + B. n = 3. n = 3. A(n=2). A(n=2) + B. n = 2. n = 2. A(n=1). A(n=1) +. B. n = 1. n = 1. A. A - B. r AB. A-B. A. E(n). E(v). : :. n ¥ :. E(J). n=3. : :. n=2. E(n). : :. n=1. E(n). A-B. A. E(n). n ¥ :. E(v). E(J).
E N D
E E : : : : A(n=3) A(n=3) + B n = 3 n = 3 A(n=2) A(n=2) + B n = 2 n = 2 A(n=1) A(n=1) + B n = 1 n = 1 A A - B rAB
A-B A E(n) E(v) : : n ¥ : E(J) n=3 : : n=2 E(n) : : n=1 E(n)
A-B A E(n) n ¥ : E(v) E(J) n=3 n=2 E(n) n=1 E(n)
A-B A E(n) n ¥ : E(v) E(J) n=3 n=2 E(n) n=1 E(n)
A-B A E(n) n ¥ : E(v) E(J) n=3 n=2 E(n) n=1 E(n)
Örbylgjuróf vs. snúningsþrep og tilfærslur J D = 2BJ E/ orka J=4 J-1 Bil milli toppa = 2BJ – 2B(J-1) = 2B D = 2B(J-1) J=3 J=2 J=0 Almennt: J-1 -> J E(J) = BJ(J+1) Dæmi 3 -> 4 2B Abs. Örbylgju- litróf: 2BJ
Upplýsingaöflun úr örbylgjugreiningu: Frávik frá “kjörhegðun”: Raunhegðun og uppl.
Simulated rotational spectrum of 12C16O at 50 K. http://www.galaxyzooforum.org/index.php?topic=279339.0
Simulated rotational spectrum of 12C16O at 1350 K. http://www.galaxyzooforum.org/index.php?topic=279339.0
PerchlorylFluoride, FClO3 http://www.astro.uni-koeln.de/site/vorhersagen/pickett/beispiele/FClO3/
http://www.aanda.org/articles/aa/full/2006/43/aa5777-06/aa5777-06.fig.htmlhttp://www.aanda.org/articles/aa/full/2006/43/aa5777-06/aa5777-06.fig.html
Kúlu-og top-samhv. Örbylgjulitrófsgreining Fjölatóma sameinda:
Jz J N Jx Jy H H H J =Jx + Jy + Jz J2 = Jx2 + Jy2 +Jz2 z y x
N H H H z Iz= I|| y Iy= I^ x Ix= I^ Ix= Iy = I^
N H H H E = J2/2I^ + Jz2/2I||- Jz2/2I^ E = J2/2I^ + Jz2/2I||- Jz2/2I^ E = B´J2 + A´Jz2– B´Jz2 E = B´J2 + (A´ – B´)Jz2 E = B´J2 + (A´ – B´)Jz2 E = B´J2 + (A´ – B´)Jz2 z E = Ex + Ey + Ez E = Jx2/2Ix + Jy2/2Iy + Jz2/2Iz E = Jx2/2I^ + Jy2/2I^ + Jz2/2I|| E = Jx2/2I^ + Jy2/2I^+ Jz2/2I^ + Jz2/2I||- Jz2/2I^ y x E = B(J(J+1)) + (A – B)K2
Útl.rófa(1) Útlit rófa vs Upplausn / Spectra structures vs, resolution:
Titr.þrep Skammtaþrep efnatengja / quantum levels: Snúnings-og titringsþrep/rotational and vibrational levels: Titringsþrep / vibrational levels:
Tilurð IR rófa / Energy transitions: Útl.rófa(2) Útlit IR rófa / IR spectral structure
IR róf línulegra sameindir / IR spectra for linear molecules: Línul. H-C=C-H: H-C=N:
IR róf topsamhverfra sameinda / IR spectra for symmetric top molecules: Topsamhv. CH3I:
A-B A E(n) E(v) : : n ¥ : E(J) n=3 : : n=2 E(n) : : n=1 E(n)
A-B A=H E(n) n¥ : E(v) E(J) n=3 n=2 E(n) n=1 E(n)
A-B A=H E(n) n ¥ : E(v) E(J) n=3 n=2 E(n) n=1 E(n)
(e: the flame) / increasing O2
/ exothermic reactions: / energy / energy / products / reaction path
/energy released /as /kinetic energy /increasing temperature /light energy /how?
/NB: /products /reactive radicals are formed /molecular fragments
=> Increasing temperature / excess kinetic energy: / excess vibrational energy / excess rotational energy / excess translational energy
/- potential energy = electron energy /energy loss /energy transfer /emission
/energy transfer: /emission following electron transfer: /electron to kinetic energy transfer: / II. The flame spectrum Flame rich in oxygen => blue coloured:
/inlet slit /PMT /comp. /Mono- chromator / gas burner
Continuous radiation Samfellt ljós Na H Hg Cu Lífrænt efni/ organic compound
/ “outer flame” / “inner flame” / spectrum / “inner flame”
/ “outer flame” / “inner flame” / “outer flame”
/ more detail: / i.e.: