From owner-chemistry.,at,.ccl.net Sat May 2 13:45:00 2020 From: "Jpd/./cat djukic/./unistra.fr" To: CCL Subject: CCL: Explanation on specific metal reactivity Message-Id: <-54055-200502132846-5206-4C1tl2qZHXndFE4PFtEN+Q#%#server.ccl.net> X-Original-From: "Jpd(a)cat" Content-Transfer-Encoding: 7bit Content-Type: multipart/alternative; boundary="----NDXKAA6MT3NZIC9XOCZBSQCYTBG413" Date: Sat, 02 May 2020 19:27:38 +0200 MIME-Version: 1.0 Sent to CCL by: "Jpd : cat" [djukic : unistra.fr] ------NDXKAA6MT3NZIC9XOCZBSQCYTBG413 Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset=UTF-8 Hi Sebastian, Other metals can promote hydrogenation, cross coupling and me= tathesis in catalysis or in stoichiometric reactions=2E Differences are in = the mechanisms, efficiency, sustainability, etc=2E=2E=2E Precious metals, = late heavy metals have been indeed abundantly studied=2E If you just take m= ethathesis , it took about 30 years of research on alkylidene/carbene=C2=A0= or alkylidyne complexes before reasonable applications to metathesis start= ed to emerge=2E The reason why Ru catalysts became popular is their moderat= e air sensitivity making them easy to handle by any ' organic' chemist ( = =F0=9F=98=81 ), which is not exactly the case of Schrock's catalysts=2E=2E= =2Ewhich emerged earlier and require stricter anaerobic conditions=2E Pract= icability ( moderate air/water sensitivity, high efficiency and selectivity= , recyclability of the metal) of catalysts is what makes the largest part o= f their reputation among those chemists who actually apply them in large sc= ale syntheses in research labs or in an industrial chemical plant=2E There = is still room for improvements to replace those metals by others from the 3= d series=2E Best regards, Jean-Pierre=2E =E2=81=A3Envoy=C3=A9 par BlueMai= l =E2=80=8B Le 2 mai 2020 17:46, =C3=A0 17:46, "Sebastian Kozuch seb=2Ekoz= uch]^[gmail=2Ecom" a =C3=A9crit: >Sent to CCL b= y: Sebastian Kozuch [seb=2Ekozuch^gmail=2Ecom] > >For all the computationa= l organometallists out there: > >Why Ir and not other metals catalyses hydr= ogenation? > >Why Pd for cross-coupling? > >Why Ru for metathesis? > >I can= not find any specific explanation that connects a metal to its >reaction=2E= Tons of mechanistic studies and reviews, without explanations >on why this= metal and only this metal for this reactions=2E >Is this info hidden or un= known? Any good paper or book? > >Thanks, >Sebastian > >-=3D This is automa= tically added to each message by the mailing script =3D- >To recover the em= ail address of the author of the message, please >change the strange charac= ters on the top line to the ]-[ sign=2E You can >also look up the X-Original-= > From: line in the mail header=2E E-mail to >subscribers: CHEMISTRY]-[ccl=2Ene= t or use: >http://www=2Eccl=2Enet/cgi-bin/ccl/send_ccl_message E-mail to >a= dministrators: CHEMISTRY-REQUEST]-[ccl=2Enet or use >http://www=2Eccl=2Enet/c= gi-bin/ccl/send_ccl_message>http://www=2Eccl=2Enet/= chemistry/sub_unsub=2Eshtml Before posting, check wait >time at: http://www= =2Eccl=2Enet Job: http://www=2Eccl=2Enet/jobs Conferences: >http://server= =2Eccl=2Enet/chemistry/announcements/conferences/ Search >Messages: http://= www=2Eccl=2Enet/chemistry/searchccl/index=2Eshtml If your >mail bounces fro= m CCL with 5=2E7=2E1 error, check: >http://www=2Eccl=2Enet/spammers=2Etxt R= TFI: >http://www=2Eccl=2Enet/chemistry/aboutccl/instructions/ ------NDXKAA6MT3NZIC9XOCZBSQCYTBG413 Content-Type: text/html; charset=utf-8 Content-Transfer-Encoding: quoted-printable Hi Sebastian,
Other metals can pr= omote hydrogenation, cross coupling and metathesis in catalysis or in stoic= hiometric reactions=2E
Differences are in the m= echanisms, efficiency, sustainability, etc=2E=2E=2E
Precious metals, late heavy metals have been indeed abundantly studie= d=2E
If you just take methathesis , it took abo= ut 30 years of research on alkylidene/carbene=C2=A0 or alkylidyne complexes= before reasonable applications to metathesis started to emerge=2E The reas= on why Ru catalysts became popular is their moderate air sensitivity making= them easy to handle by any ' organic' chemist ( 😁 ), which is not = exactly the case of Schrock's catalysts=2E=2E=2Ewhich emerged earlier and r= equire stricter anaerobic conditions=2E
Practic= ability ( moderate air/water sensitivity, high efficiency and selectivity, = recyclability of the metal) of catalysts is what makes the largest part of = their reputation among those chemists who actually apply them in large scal= e syntheses in research labs or in an industrial chemical plant=2E
There is still room for improvements to replace those m= etals by others from the 3d series=2E

Best = regards,
Jean-Pierre=2E

Envoy=C3=A9 par BlueMai= l
Le 2 mai 2020, =C3=A0 17:46, "Sebastian Koz= uch seb=2Ekozuch]^[gmail=2Ecom" <owner-chemistry]-[= ccl=2Enet> a =C3=A9crit:
Sent to CCL by: Sebastian Kozuch [seb=2Ekozuch^gmail=2Eco= m]
For all the computational organometallist= s out there:
<= div data-offset-key=3D"6o1rg-0-0" class=3D"public-DraftStyleDefault-block = public-DraftStyleDefault-ltr">Why Ir and not other metals catalys= es hydrogenation?
=
Why Pd for cross-coupling?
Why Ru for metathesis?
I cannot find any = specific explanation that connects a metal to its reaction=2E= Tons of mechanistic studies and reviews, without explanation= s on why this metal and only this metal for this reactions=2E=
Is this info hidden or unknown? Any good paper or book?<= br>
Thanks,
Sebastian

  
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