n = 1 n = 2 n = 3 :::: E n = 1 n = 2 n = 3 :::: E A A - B A(n=1) +B A(n=2) + B A(n=3) + B A(n=1) A(n=2) A(n=3) r AB

E(n) n=1 n=2 n=3 n  : A E(n) A-B E(n) :::: E(v)E(J) :::: ::::

E(n) n=1 n=2 n=3 n  : A E(n) A-B E(n)E(v)E(J)

E(n) n=1 n=2 n=3 n  : A E(n) A-B E(n)E(v)E(J)

E(n) n=1 n=2 n=3 n  : A E(n) A-B E(n)E(v)E(J)

E/ orka J=0 J=2 J=3 J=4 E(J) = BJ(J+1) J J-1 Almennt: J-1 -> J Dæmi 3 -> 4  = 2BJ 2BJ  = 2B(J-1) Bil milli toppa = 2BJ – 2B(J-1) = 2B Örbylgjuróf vs. snúningsþrep og tilfærslur Örbylgju- litróf: Abs.

Frávik frá “kjörhegðun”: Upplýsingaöflun úr örbylgjugreiningu: Raunhegðun og uppl.

Simulated rotational spectrum of 12 C 16 O at 50 K.

Simulated rotational spectrum of 12 C 16 O at 1350 K.

Perchloryl Fluoride, FClO 3

Örbylgjulitrófsgreining Fjölatóma sameinda: Kúlu-og top- samhv.

N H H H z y x JyJy JxJx JzJz J J = J x + J y + J z J 2 = J x 2 + J y 2 +J z 2

N H H H z y x I x = I  I y = I  I z = I || I x = I y = I 

N H H H z y x E = J 2 /2I  + J z 2 /2I || - J z 2 /2I  E = B´J 2 + A´J z 2 – B´J z 2 E = B´J 2 + (A´ – B´)J z 2 E = B(J(J+1)) + (A – B)K 2 E = E x + E y + E z E = J x 2 /2I x + J y 2 /2I y + J z 2 /2I z E = J x 2 /2I  + J y 2 /2I  + J z 2 /2I || E = J x 2 /2I  + J y 2 /2I  + J z 2 /2I  + J z 2 /2I || - J z 2 /2I 

Útlit rófa vs Upplausn / Spectra structures vs, resolution: Útl.rófa(1)

Skammtaþrep efnatengja / quantum levels : Titringsþrep / vibrational levels: Snúnings-og titringsþrep/ rotational and vibrational levels: Titr.þrep

Útlit IR rófa / IR spectral structure Tilurð IR rófa / Energy transitions: Útl.rófa(2)

HCl(1) HCl: H 35 Cl/H 37 Cl; IR róf/spectra (H.Í.):

HCl(2)

IR róf línulegra sameindir / IR spectra for linear molecules: H-C=N: H-C=C-H: Línul.

IR róf topsamhverfra sameinda / IR spectra for symmetric top molecules: CH 3 I: Topsamhv.

E(n) n=1 n=2 n=3 n  : A E(n) A-B E(n) :::: E(v)E(J) :::: ::::

E(n) n=1 n=2 n=3 n  : A=H E(n) A-B E(n)E(v)E(J)

E(n) n=1 n=2 n=3 n  : A=H E(n) A-B E(n)E(v)E(J)

(e: the flame) / increasing O 2

/i.e.:

/ exothermic reactions: / energy / products / reaction path

/energy released /as /kinetic energy /increasing temperature /light energy /how?

/products /NB: /reactive radicals are formed /molecular fragments

/ excess vibrational energy / excess rotational energy / excess translational energy / excess kinetic energy: => Increasing temperature

/energy transfer /- potential energy = electron energy /emission /energy loss

/energy transfer: /electron to kinetic energy transfer: /emission following electron transfer: / II. The flame spectrum Flame rich in oxygen => blue coloured:

/ gas burner /Mono- chromator /inlet slit /PMT /comp.

Na H Hg Cu Lífrænt efni/ organic compound

/ “outer flame” / “inner flame” / spectrum

/ “outer flame” / “inner flame”

/ i.e.: / more detail:

He/Ne & Dye laser /Lit-LASER

CO 2 and Excimer LASERs

Firefly Luciferase Catalyzed Rxn (Figure 2) Citation 2 Yellow-green light λ max = 560 nm

ATP: Fráhrindikraftar; óstöðugleiki ATP + H 2 O – ADP + P i PiPi Margar vokmyndir; stöðugleiki ATP/ADP

2 H 2 O 2 → O H 2 O Fe +

Ljósrof: