NAOJ Future Planning Symposium 2021
Nov. 9-10, 2021 @ NAOJ

Molecular
Evolution
Hideko Nomura(Division of Science, NAOJ)

Origin of Materials in Planetary Systems
Molecular
CloudsMethanolProtoplanetaryDisks

Formation ofstars and planets
Origin/complex
of lifeon Earth?
species

Whatkinds of life possibly Water
Evolved Stars
exist
inexoplanetarysystems?
Supply of heavy

elements to ISM

Planetary System

How much species remain on/in planets?
Amino acids© Bill Saxton, NRAO

Origin of Materials in Planetary Systems
Molecular
CloudsMethanolFormation ofstars and planets/complex speciesEvolved Stars
Supply of heavy
elements to ISM

ProtoplanetaryDisks

Water

Planetary System

How much species remain on/in planets?
Amino acids© Bill Saxton, NRAO

Solar System Exploration

Amino Acids in Comets & Meteorites
Hayabusa 2Ryugu

STARDUST mission

JAXA

NASA

Detection of amino acid,(Elsila et al. 2009)
glycineROSETTA mission

ESA

Sample return mission
Murchison meteorites
67P/Churyumov-Gerasimenko

In situ obs. bymass spectrometer(Altwegg et al. 2016)

Vairious kindsof amino acids

Observed Interstellar Molecules
CH+HCN

H2CO

HC3N

CH3OH

HC5NHCOOCH3HC7N

CS

HNC

H2CS

HCOOH

CH3CN

CH3CCH

CH3C3N

HC9N

COHCO

H2CN

CH2NH

CH3NC

CH3NH2CH3COOH

HC11N

CNOCS

HNCO

CH2CO

CH3SH

CH3CHOCH2CHCHOC2H5CNC2CH2HNCS

NH2CN

NH2CHOCH2CHCN

CH2OHCHO

CH3C4H

CH

C2H

C3H

C4H

C5H

C6H

H2C6CH3C5N

CO+

C3c-C3H

c-C3H2

H2C4c-C2H4O

CH3OCH3CF+

CO2

C3N

H2C3HC3NH+

CH2CHOHC2H5OH

CN-

C2O

C3O

CH2CN

C5N-

C6H-

CH3CONH2C2S

C3S

HCCNC

CH3COCH3HCO+

CH3

HNCCC

OHCH2CH2OHHOC+

C2H2

CH4

C2H5OCHO

HCS+

HOCO+

H2COH+

HCNH+
C3N-

C4H-

→ amino acids NH2CH2COOH?
?

1970→ 1980 → 1995
~10 species~50~100

C8H-2021→~270 species

Solar System Exploration

Amino Acids in Comets & Meteorites

STARDUST mission

Hayabusa 2Ryugu

JAXA

NASA

How ofwereDetectionaminothese
acid, organic compounds
Sample return mission(Elsilaetal.
2009)
glycineformed from molecules in space?

Murchison meteorites
67P/ChuryumovKey
species: Water & Organics
ROSETTAmission-Gerasimenko

ESA

In situ obs. bymass spectrometer(Altwegg et al. 2016)

Vairious kindsof amino acids

Exoplanets: Stellar Type & Age¥

M type stars(z>0.5)AFG

Age of host star (Gyr)Sun: 4.6 Gyrs
(z~0.5)Mass of host star (Msolar)

The Exoplanet Encyclopedia http://exoplanet.eu/KM

Metallicity [Fe/H]

Spectroscopic observations of host stars are importante.g., Kepler mission, Subaru SSP: Search for Planets like Earth around Late-M Dwarfs:
Precise Radial Velocity Survey with IRD

Chemical Evolution in Milky Way
Elemental abundances[O/H]

Isotope ratios

12C/13C[N/H]
16O/18O[Fe/H](Romano+2019)(Palla+2020)

R (kpc)Chemical Evolution in Milky Way
Elemental abundances[O/H]

12C/13C

Isotope ratios

12C/13C[N/H]
16O/18O

16O/18O[Fe/H](Romano+2019)(Palla+2020)

R (kpc)→ Kobayashi-san’s talk

Elemental abundances on Earth

Global vs. Local Elemental Abundances(Pontoppidan+ 2014)

OSPC
N

Solar abundances

Nitrogen, carbon, etc. are depleted on EarthLocal Elemental Abundances

Elemental abundances in solids in the Solar system
Abundances relative to Si

ISM

Sun EarthMeteorites CometsOCN(Lee+10, Pontoppidan+14, Bergin+15, Wei+19)

How do elemental abundances evolve during star andplanet formation? How much diversities can arise?

Isotopes : Indicators of Evolution

D/H ratio

Origin of ocean water on Earth

Isotopes can betracers oforigin/evolution ofmaterials.

13C in biotic/abiotic components(SPICA science report 2020)

15N in meteorites(Glavin+ 2018)

on Earth(Naafs )COMs in Low Metallicity

ALMA, Bands 6,7

LMC, ST16

新学術 A paradigm shiftby a new integrated theoryof star formationObs. towards LMC,outer MW → metallicity
is not the uniquecontrol parameter(Shimonishi et al. 2020, 2021)

COMs in Starburst Galaxies/AGNs(Aladro et al. 2015, Martin et al. 2021)

ALMA LP/ ALCHEMI

Strong UV, X-ray,cosmic-ray,mechanical heating(cf. Galactic Center)→ Variety in chemistry

Isotope ratios in NGC 253

Chemistry in the Molecular Clouds
Gas-phase reactions
Neutral‐Neutral Reactions＊Effective on Earth++High activation energies→ Inefficient at low temp. (~10K)

Cosmic-ray Induced+ Ion‐Neutral Reactions
Reactions,＊More than half reactions inPhotoreactions
the chemical network
UV, X-rays,
Cosmic rays

*electrons＊Radicals are abundant** +++ Ion‐electron recombination

Chemistry in the Molecular Clouds
Gas-phase reactions
Neutral‐Neutral Reactions＊Effective on Earth++High activationenergies→
Inefficient
low temp. (~10K)
Chemicalproperties
ofatmolecules

Cosmic-ray
Induced⇔ physicalproperties of objects
Ion‐NeutralReactions+Reactions,(temp. of gas & dust, UV, cosmic rays, X-rays)＊More than half reactions in
Photoreactions
the chemical network
UV, X-rays,Cosmic rays

*electrons＊Radicals are abundant** +++ Ion‐electron recombination

Complex Molecule Fomration
on Grain Surface
cold: < 20K
HC, O, N,S, CO, …

grain surface

desorption UV, CR,X-rays

thermalwarm: 30-50K
NH2,HCO, …

UV

CH3O

grain surface¥

migrateSaturated molecules

Unsaturated molecules
HCOOCH3, NH2CHO, …

CH4, H2O, NH3,
H2S, CH3OH, …

(e.g., Garrod+ 2006, 2008)

Complex molecules are formed on grains
More complex molecules on warm grains

To Understand Material Evolution

学術変革 Next Generation
Astrochemistry

Observation©ALMA, NAOJ

©Subaru, NAOJ

©Hayabusa2, JAXA

Microprocess(Laboratory, Theory)- Gas-phase chemistry(nonthermal chemistry,UV, X-rays, cosmic rays)- Grain surface chemistry- Spectroscopy

Model(Walsh+2014)

More COMs in Interstellar Clouds
ALMA PILS survey(PI: Jorgensen)

IRAS16293-2422

Yebes 40m

Sgr B2

ALMA ReMoCA survey (PI: Belloche)
IRC+10216 (Pardo+ 2020)

More COMs in Interstellar Clouds
ALMA PILS survey(PI: Jorgensen)

Sgr B2

ALMA, GBT, Yebes 40m, etc.
ReMoCA survey(PI: Belloche)
IRAS16293-2422
Broadband receiverALMAx laboratoryspectroscopy→discover28
molecules
thisyear!
(Pardo+2020)
IRC+10216
Yebes 40m

From Molecular Clouds to Planetary Systems
Molecular Cloud Cores, ~106yr

Class I, ~105yr

Class II (CTTS),~106yrClass 0, ~104yr

Class III (WTTS),~107yr→MS StarsFrom protoplanetary disk to planets(e.g., Hayashi et al. 1985)

Dust growth& settling
Planetisimalformation
Collisional growthof planetisimals
Planet formation(c) 小久保英一郎 理科年表オフィシャルサイト
(c) 2021 NINS, NAOJ (c) 2021 Maruzen Publishing Co., Ltd.

Dispersal of gas

High Res. Obs. of Dust in Disks

ALMA LP/DSHARP (Andrews+ 2018)https://almascience.nao.ac.jp/almadata/lp/DSHARP/

Subaru SSP/SEEDS (PI: Tamura, M.)

Substructures (gasp, rings) exist universally in disks.

High Res. Obs. of Gas in Disks
ALMA LP/MAPS(Oberg+ 2021)

IM Lup AS 209 GM Aur HD163296 MWC480

https://almascience.eso.org/alma-data/lp/MAPS
http://alma-maps.info/

Substructures (gasp, rings) are common in gas, too.

Obs. of Gas in Protoplanetary Disks

H2 Lyman-Werner(sub)mmband transitions CO, 13CO, C18O, C17O, 13C18O,13C17O, HCO+, H13CO+, DCO+,Optical [OI] 6300A[CI], C2H, C2D, c-C3H2,NIR
H2CO, HCOOH, CH3OH,
H2 v=1-0 S(1), S(0),HCN, H13CN, DCN, HC15N,CO ∆v=2, ∆v=1,
HNC, CN, C15N, N2H+, N2D+,
H2O, OH, HCN, C2H2, CH4
HC3N, CH3CN, CH2CN,MIR
CS, C34S, 13CS,
H2 v=0-0 S(1), S(2), S(4)H2S, SO, H2CS, etc.
H2O, OH, HCN, C2H2, CO2, etc.
(sub)mm(Spitzer Space Telescope)
infraredUVFIR[OI] 63um, 145um,CO, H2O, CH+, HD, NH3, etc.
(Herschel Space Observatory)

pre-ALMA★
ALMAModeling Complex Molecules in PPD
Grain surface reactions
HC, O, N,S, CO, …

H2O, CH3OH, …

Height/Radius

Grain surface

CH3OH ice

Radius [AU]Photodesorption
desorption

UVCR
Xrays

(Walsh et al. 2010, 2014)

CH3CN ice

Radius [AU]Complex organic mol. are formed efficiently
by grain surface reactions near the disk midplaneModeling Complex Molecules in PPD
Grain surface reactions
H

C, O, N,S, CO, …

H2O, CH3OH, …

Height/Radius

Grain surface

CH3OH icegas

Radius [AU]Photodesorptiondesorption

UVCR
Xrays

(Walsh et al. 2010, 2014)

CH CN ice
gas 3

Radius [AU]Complex organic mol. are formed efficiently
by grain surface reactions near the disk midplaneModeling Complex Molecules in PPD
Grain surface reactions
HC, O, N,S, CO, …

H2O, CH3OH, …

Height/Radius

Grain surface

CH3OH icegas

Radius [AU]ALMA Band7
Photodesorption
TW HyaUVdesorption
CRXraysobs. (white)(Walsh et al. 2010, 2014)

CH CN icegas 3
model (gray)Radius [AU](Walsh+2016)
Complex organic mol. are formed efficiently
by grain surface reactions near the disk midplaneModel Spectra of More COMs in Disks
CH3OCH3

CH3CHOCH3NH2NH2CHO

Searching more COMs in disks by ALMA &ngVLA!
(Walsh et al. 2017)

Broad Band Observations in Disks
ALMA, Band 7(van der Marel+2021, Booth+2021)

Further new discovery of molecules are reported.

COMs in Disks vs. Comet 67P/C-G
COMs in 67P/ Churyumov-Gerasimenko
COSAC/Philae, ROSINA, Rosetta

67P/C-G :1.5%
67P/C-G :0.3%
67P/C-G :0.4%

67P/C-G :0.3%(Walsh et al. 2014, Walsh 2015)(Goesmann+ 2015, Altwegg+ 2016, 2017)

Abundances of a part of molecules are consistent. Morecomplete model is needed especially for larger molecules

COMs in Disks vs. Comet 67P/C-G
COMs in 67P/ Churyumov-Gerasimenko
COSAC/Philae, ROSINA, Rosetta

67P/C-G :1.5%
67P/C-G :0.3%
Formation
processes of more

complexorganicmolecules?
67P/C-G:
67P/C-G :
0.4%

0.3%

(Walsh et al. 2014, Walsh 2015)(Goesmann+ 2015, Altwegg+ 2016, 2017)

Abundances of a part of molecules are consistent. Morecomplete model is needed especially for larger moleculesCOMs in Disks vs. Comet 67P/C-G
New chemical modelling
Three-phase model
ice mantle
silicate & carbon grain
gas

VIRTIS/Rosetta

NH4+grain
surface
T=100K(Quirico+ 2016)(Wei 2020)→ Hayabusa 2, etc.

COMs in Disks vs. Comet 67P/C-G
New chemical modelling
Three-phase model
ice mantle
silicate & carbon grain
gas

VIRTIS/Rosetta

Ice mantle reactions grain
efficiently produceNHsurfacethe salt observedin comet 67P
Laboratory experiments x astrochemical
T=100K
modelling → new formation pathway ofmolecules newly found in future missions4(Quirico+ 2016)+(Wei 2020)→ Hayabusa 2, etc.

Water Snowline in Planet Forming Disks
Boundary between Rocky & Gas Giant Planets
新学術 A paradigm shiftby a new integrated theoryof star formation

Water Snowline
Ice

Vapor
cometsasteroids
rocky planetsgas giants

ice giants

How do water snowline evolve during planet formation?
How do water and organics delivered to rocky planets?

Water Snowline in Planet Forming Disks
Boundary between Rocky & Gas Giant Planets
新学術 A paradigm shiftby a new integrated theoryof star formation

Water Snowline
Ice

Vaporcometsasteroids
rocky planetsgas giants

ice giants

C-rich in Ice
O-rich in Ice
O-rich in Gas
C-rich in Gas
water snowline

ALMA Observations of CO Snowline(Qi et al. 2013)

N2H+ gas image

TW HyaColdHotVolatile
CO snowline

Ice

Snowline

N2H+ gas distribution traces CO snowline.
(N2H+ is destroyed by CO in gas-phase.)
Observations of water snowline?

How to Observe Water Snowline?
GREX-PLUS survey

Protoplanetary disk

Keplerian rotation

i: inclination

Flux Density (Jy)

Water snowline can belocated by observing
Doppler-shift ofKeplerian rotation

Suitable line @ 17.75 µm
Typical line width of waterfrom PPDs ~ 30km/s→ high-R (R ~ 30,000) is
required to locate snowline
Velocity (km/s)(Notsu+ 2016, 2017, Kamp+2021)

How to Observe Water Snowline?
GREX-PLUS survey

Protoplanetary disk

Keplerianrotation(Pontoppiddan+2010)

G-REX:

spectrally
R>30,000 resolve the lines
i: inclination

Flux Density (Jy)

Water snowline can belocated by observing
Doppler-shiftJWST:ofR=3,000 rotation
Keplerian
Detect the lines

Suitable line @ 17.75 µm
TypicalR=600line width of waterfrom PPDs ~ 30km/s
Spitzer→ high-R (R ~ 30,000): unable toisrequired to locate
snowline
detectthe lines
Velocity (km/s)(Notsu+ 2016, 2017)

Obs.

Molecules in Interstellar Ice

W33A by ISO

ST10 in SMC by AKARI(Gibb et al. 2000)

SVS 4-5 by Spitzer(Shimonishi et al. 2010)

Si, C
CH3OH & NH3(Bottinelli et al. 2010)

H2O, CO, CH3OH, ...

Observations of icecomponents by infrared
spectroscopy→ JWST, TMT, ..

(e.g., Spitzer: Boogert+ 2008, Pontpiddan+ 2008, Oberg+ 2008, AKARI: Aikawa+2009, ..)How to Observe Water Snowline?
Water ice absorption in scattered light(Tazaki+2021)

SubaruCourtesy of T. Muto

TMT with smaller IWA will
be able to trace watersnowline in scattered light
imaging observations(Subaru2/TMT science)Chemistry with Dynamical Process?
Chemistry in dynamical Chemistry alongaccretion phaseradial drift of grains(Booth & Ilee 2019)

Radial driftof grains

Material mixing by planetesimal scattering(Yoneda+2016)

Jupiter

Saturn(Walsh+ 2011)(Walsh+ 2011)→ high performance computers
Chemical evolution should be considered
together with dynamical processes

Infrared Spectroscopy for Material Evolution(Smith, Pontoppidan+ 2009)
VLT/CRIRES
R~100,000(van der Werf+ 2010)
Herschel/SPIREULIRG

Protostellar envelope(Pontoppidan+ 2010)
Spitzer/IRS

Protoplanetary disk

→ JWST, GREX-PLUS, TMT/MICHI, ..

Infrared spectroscopy will reveal molecularcomposition of gas & ice in various environments

Infrared Spectroscopy for Material Evolution(Smith, Pontoppidan+ 2009)
VLT/CRIRES
R~100,000(van der Werf+ 2010)
Herschel/SPIREULIRG

CH3CN in gas-phase
Height/Radius

Protostellar envelope(Pontoppidan+ 2010)
Spitzer/IRSGREX- disk
Protoplanetary

ALMAPLUS

Radius (au)(Walsh et al. 2014)→ JWST, GREX-PLUS, TMT/MICHI, ..

Infrared spectroscopy will reveal molecularcomposition of gas & ice in various environments

Infrared Spectroscopy for Material Evolution
HITRAN(SPICA science 2020)

PH3

NH3
C2 H 4C2 H 215NH

HCN

CH3OH

3

C2 H 6

10.2

10.0

9.8

9.6

9.4

9.2

ExoMolCollaborations with spectroscopists are necessary.

Characterize Exoplanetary Atmospheres
Gemini South/IGRINS, R~45,000(Line+ 2021)

12C/13C→ JWST, Ariel, GREX-PLUS, TMT/MODHIS, MICHI,…

Molecular composition, temperature profiles, etc..

Habitable Worlds?

Effect of stellar flares on
habitability?

新学術 A paradigm shiftby a new integrated theoryof star formation

Can we ‘map’ exoplanets?

(Fujii & Kawahara 2014)

Ice chemistry
Isotope chemistry→ TMT/PSI, …
Elemental abundances
Observations
Molecular snowlines
Astronomy
Nonthermal process
exploration missions

Microprocess(Laboratory, Theory)

Physics, chemistry, spectroscopy

ModelsDynamical process
Chemical processSummary-Origin of life? Possible diversity on exoplanets?
Astronomical observations:broad band observations, high dispersion spectroscopy,
collaboration with spectroscopists are important
Collaborations with exploration mission are important
Models: We need to think both global & local evolutionof elemental abundances
Ice chemistry model for COM formation should beimproved, taking into account microprocesses
Isotopes could be tracers of material evolution
Evolution of snowlines is one of the keys for local
evolution of elemental abundances
Chemistry with nonthermal processes could be a key
Molecular evolution model with dynamical process
should be improved