Smit, Tonnis Jan Meint

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   University of GroningenThe electronic structure of some tetrachloro transition metal clusters. An application ofquantum chemistrySmit, Tonnis Jan MeintIMPORTANT NOTE: You are advised to consult the publisher's version (publisher's PDF) if you wish to cite fromit. Please check the document version below.Document VersionPublisher's PDF, also known as Version of recordPublication date:1975Link to publication in University of Groningen/UMCG research databaseCitation for published version (APA):Smit, T. J. M. (1975). The electronic structure of some tetrachloro transition metal clusters. An applicationof quantum chemistry. s.n.CopyrightOther than for strictly personal use, it is not permitted to download or to forward/distribute the text or part of it without the consent of theauthor(s) and/or copyright holder(s), unless the work is under an open content license (like Creative Commons).The publication may also be distributed here under the terms of Article 25fa of the Dutch Copyright Act, indicated by the “Taverne” license.More information can be found on the University of Groningen website: https://www.rug.nl/library/open-access/self-archiving-pure/taverne-amendment.Take-down policyIf you believe that this document breaches copyright please contact us providing details, and we will remove access to the work immediatelyand investigate your claim.Downloaded from the University of Groningen/UMCG research database (Pure): http://www.rug.nl/research/portal. For technical reasons thenumber of authors shown on this cover page is limited to 10 maximum.Download date: 13-02-2023S a n e n v a t t i n g .H e t  < 1 o e 1  v a n  < 1  t  o n d e r z o e k  r . ' a s  d e  r e l . . e n t e c h n i s c h e  r n i d d e l ev a n  d e  n o d e r n e  k r v a n t u r n c h e r q i e  t o e  t e  p a s s e n  o D  e e n  a a n t a lp r o h l e n e n  v a n  b e l a n g  v o o r  d e  a n o r . g a n i s c h e  v a s t e  s t o fc h e m i c u s .  D e  g e b r u i k t e  t e c h n i e k  i s  d e  " r e s t r i c t e d  t r a r t r e e( R H F )  r n e t h o d e  a f k o m s t i g  v a n  D . o o t h a a n .B i j  d e z e  r n e t h o < 1 e  r v o r d e n  d e  r n o l e c u l a i r e  o r h i t a l s  b e s c h r e v er n e t  e e n  I i n e a i r e  c o n b i n a t i e  r r a n  b a s i s f u n c t i e s  < 1  e  g e p l a a t :z i i n  o n  d e  a t o Í n ê n  \ { a a r u i t  h e t  n o l e c u l a i r e  s v s t e e r n  i so p g e b o u w c i .  A 1 s  b a s i s f u n c t i e s  h e b b e n  w e  g e c o n t r a h e e r c l eC a u s s - t v p e  o r h  i  t a  I  s  g e h r u i  k t  .I n  h o o f d s t u k  I  w o r r l t  e e n  k o r t e  i n l  e i d i n g  , g e g e v e n  o v e r  d ef u n c l a n e n t e l e  t h e o r e t i s c h e  s c h e n a ' s  r r ' e 1 k e  t e g e n r v o o r d i gv o o r h a n < l e n  z l . j n  o r n  h e r e k e n i n g e n  v a n  g r o t e  o n v a n g  u i t  t ev o e r e n  a a n  o v e r g a n g s n e t a a l v e r h i n c l i n g e n .I n  h o o f d s t u k  I I  i s  c l e  c h e r q i s c h e  b i n d i n g  i n  d e  t e t r a c h l o r o? -  ) -  ? -c o r n p l e x e n  C u C 1 , '  ] t l i c 1 .  "  e n  C u C 1 , '  o n < l e r z o c h t  l n e t  h e t' 4 ' 4 4c l o e l  i n z i c h t  t e  k r i j g e n  i n  d e  c o v a l e n t e  w i s s e l w e r k i n gt u s s e n  e e n  o v e r g a n g s n e t a a l i o n  e n  e e n  " z \ t a a r  "  l i g a n c l  z o a l sh e t  c h l o r i d e  i o n .D e  v e r k r e g e n  l a d i n g s v e r d e l i n g e n  z i j n  g , e a n a l v s e e r c l  n . b . v .I Í u 1 1 j - k e n  p o p u l a t i e a n a l y s e s .  I n  h o o f  d s t u k  T  I  I  g e v e n  r ^ r er e s u l t a t e n  v a n  h e r e k e n i n g e n  v a n  d e  l i g a n d v e l c l  s p l i t s i n g1 0  D q  i n  c l e  t e t r a ë d e r :  c o m D l e x e n  I ' i C 1 /  2 -  " n  C u C 1 r  2 - .  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The electronic structure of some tetrachloro transition metal clusters. An application of quantum chemistry

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The electronic structure of some tetrachloro transition metal clusters. An application of quantum chemistry

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