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Philip Bunker

February 14, 2023

Philip R. Bunker is a British-Canadian scientist and author, known for his work in theoretical chemistry and molecular spectroscopy.

Philip R. Bunker
Born29 June 1941
London, England
CitizenshipBritish
Canadian
Alma materKing's College London (B.Sc.) University of Cambridge (Ph.D.)
Known formolecular symmetry
methylene (CH2)
dimethylacetylene
AwardsHumboldt Prize 1995
Scientific career
Fieldstheoretical chemistry
molecular spectroscopy
InstitutionsNational Research Council of Canada
Doctoral advisorChristopher Longuet-Higgins[1]

Education and early work

Philip Bunker was educated at Battersea Grammar School in Streatham. He received a bachelor's degree at King's College in 1962 and earned a Ph.D. in theoretical chemistry from Cambridge University in 1965, advised by H.C. Longuet-Higgins. The subject of his Ph.D. thesis was the spectrum of the dimethylacetylene molecule and its torsional barrier.[2] During Bunker's Ph.D. work in 1963, Longuet-Higgins published the paper that introduced molecular symmetry groups consisting of feasible nuclear permutations and permutation-inversions.[3] Under the guidance of Longuet-Higgins, Bunker applied these new symmetry ideas and introduced the notations G36 and G100 for the molecular symmetry groups of dimethylacetylene and ferrocene, respectively.[4] After obtaining his Ph.D. degree, he was a postdoctoral fellow with Jon T. Hougen in the spectroscopy group of Gerhard Herzberg at the National Research Council of Canada. He then spent his entire career at the National Research Council of Canada, eventually rising to the position of Principal Research Officer in 1997.[5]

Career and important contributions

Philip Bunker's published scientific work has focused on the use of fundamental quantum mechanics to predict and interpret the spectral properties of polyatomic molecules due to their combined rotational, vibrational, electronic and nuclear-spin states, and their symmetries. He has been particularly concerned with the study of the energy levels and spectra of molecules that undergo large amplitude vibrational motions.[6][7] Applications of this work to the methylene (CH2) molecule proved to be important in determining the separation between the singlet and triplet electronic states, and in determining which singlet and triplet rotational levels interact.[8][9] In the 1990's, he returned to the problem of determining the torsional barrier in dimethylacetylene after Robert McKellar and John Johns, experimentalists at the National Research Council of Canada, had obtained a very high resolution infrared spectrum of the molecule.[10]

Bunker is a well-known expert in the use of the molecular symmetry group.[11][12] At the end of Longuet-Higgins' paper in which he introduced permutation and permutation-inversion molecular symmetry groups,[3] Longuet-Higgins wrote: "In conclusion it should be added that the present definition can be extended to linear molecules, and to molecules where spin-orbit coupling is strong; but these topics are best dealt with separately." However, Longuet-Higgins left the field of theoretical chemistry in 1967; he wrote nothing more about molecular symmetry and did not make these extensions. Extensions of these principles were subsequently made to linear molecules[13] as well as to molecules with strong spin-orbit coupling[14] Bunker is also known for his work in the quantitative description of non-adiabatic effects in quantum molecular dynamics.[15][16]

Together with Per Jensen (1956-2022), who was a theoretical chemist at Bergische Universität Wuppertal,[17] Bunker has written two books on theoretical chemistry and molecular spectroscopy; Molecular Symmetry and Spectroscopy (1998)[18] and Fundamentals of Molecular Symmetry (2005).[19] Currently, Bunker is Researcher Emeritus at the National Research Council of Canada and a guest scientist at the Fritz-Haber Institute of the Max Planck Society.[20] He has also held visiting scientist positions at universities and institutions around the world during the course of his career, including ETH-Zurich, Massey University, Kyushu University and University of Florence.[5]

Awards and honors

Bunker received the Humboldt Prize (1995), the Medaili Jana Marca Marci of the Czech Spectroscopy Society (2002),[21] and the 2002 Sir Harold Thompson Memorial Award, which is sponsored by Pergamon Press (now Elsevier) for the most significant advance in spectroscopy published in Spectrochimica Acta each year.[22] He is a fellow of the International Union of Pure and Applied Chemistry.[23]

Personal life

Bunker married Eva Cservenits in 1966. Their son, Alex E. Bunker, is a computational chemist at the University of Helsinki who has co-authored more than 50 research articles.[24]

References

  1. ^ Philip Bunker at the Mathematics Genealogy Project
  2. ^ P.R. Bunker; H.C. Longuet-Higgins (1964). "The Infrared Spectrum of Dimethylacetylene and the Torsional Barrier". Proc. R. Soc. A. 280 (1382): 340. Bibcode:1964RSPSA.280..340B. doi:10.1098/rspa.1964.0149. S2CID 94724543.
  3. ^ a b Longuet-Higgins, H.C. (1963). "The symmetry groups of non-rigid molecules". Molecular Physics. 6 (5): 445–460. Bibcode:1963MolPh...6..445L. doi:10.1080/00268976300100501.
  4. ^ P. R. Bunker (1964). "The Rotation-Torsion Wavefunctions of Molecules that have two Identical Rotors". Mol. Phys. 8: 81. doi:10.1080/00268976400100091.
  5. ^ a b "Theory and Simulation Group of the National Research Council of Canada". Retrieved 30 July 2021.
  6. ^ J. T. Hougen; P. R. Bunker; J. W. C. Johns (1970). "The vibration-rotation problem in triatomic molecules allowing for a large amplitude bending". J Mol Spectrosc. 34: 136. Bibcode:1970JMoSp..34..136H. doi:10.1016/0022-2852(70)90080-9.
  7. ^ P. R. Bunker (1983). "Quasilinear and quasiplanar molecules". Annu. Rev. Phys. Chem. 34: 59. Bibcode:1983ARPC...34...59B. doi:10.1146/annurev.pc.34.100183.000423.
  8. ^ A.R.W. McKellar; P.R. Bunker; T.J. Sears; K.M. Evenson; R.J. Saykally; S.R. Langhoff (1983). "Far Infrared Laser Magnetic Resonance of Singlet Methylene. Singlet-Triplet Perturbations, Singlet-Triplet Transitions, and the Singlet-Triplet Splitting". J Chem Phys. 79 (11): 5251. Bibcode:1983JChPh..79.5251M. doi:10.1063/1.445713.
  9. ^ P.R. Bunker, 'The Spectrum, Structure, and Singlet-Triplet Splitting in Methylene CH2.' Chapter in ‘Comparison of Ab Initio Quantum Chemistry with Experiment for small molecules’, ed. Rodney J. Bartlett, Reidel Dordrecht The Netherlands (1985). ISBN 978-9027721297
  10. ^ C. di Lauro; P. R. Bunker; J. W. C. Johns; A. R. W. McKellar (1997). "The rotation-torsion structure in the ν11/ν15 (Gs) methyl rocking fundamental band in dimethylacetylene". J. Mol. Spectrosc. 184 (1): 177–185. Bibcode:1997JMoSp.184..177L. doi:10.1006/jmsp.1997.7321.
  11. ^ P.R. Bunker 'Practically Everything you Ought to know about the Molecular Symmetry Group' in, ‘Vibrational Spectra and Structure, Vol. III’, ed. James R. Durig, Marcel Dekker (1975) ISBN 10: 0824711491I
  12. ^ Xu, Yunjie; Jäger, Wolfgang (May 2011). "Philip R. Bunker and A. Robert W. McKellar Special Issue". Journal of Molecular Spectroscopy. 267 (1–2): 1–2. Bibcode:2011JMoSp.267....1X. doi:10.1016/j.jms.2011.04.021. Retrieved 30 July 2021.
  13. ^ P.R. Bunker; D. Papousek (1969). "The Symmetry Groups of Linear Molecules". J. Mol. Spectrosc. 32 (3): 419. Bibcode:1969JMoSp..32..419B. doi:10.1016/0022-2852(69)90007-1.
  14. ^ P.R. Bunker, 'The Spin Double Groups of Molecular Symmetry Groups,' Chapter in ‘Lecture Notes in Chemistry’, ed. J. Hinze, Springer-Verlag, volume 12 (1979). ISBN 978-3540097075
  15. ^ P.R. Bunker; R.E. Moss (1980). "The Effect of the Breakdown of the Born-Oppenheimer Approximation on the Rotation-Vibration Hamiltonian of a Triatomic Molecule". J. Mol. Spectrosc. 80 (1): 217. Bibcode:1980JMoSp..80..217B. doi:10.1016/0022-2852(80)90283-0.
  16. ^ Per Jensen, G. Osmann and P. R. Bunker 'The Renner Effect.' Chapter 15 in ‘Computational Molecular Spectroscopy’, eds. P. Jensen and P. R. Bunker, Wiley, Chichester, (2000) ISBN 0-471-48998-0 [1]
  17. ^ "Prof Per Jensen". Retrieved 20 July 2022.
  18. ^ P. R. Bunker and Per Jensen (1998), Molecular Symmetry and Spectroscopy, 2nd ed. , NRC Research Press, Ottawa ISBN 9780660196282[2]
  19. ^ P. R. Bunker and Per Jensen (2005), Fundamentals of Molecular Symmetry (CRC Press) ISBN 0-7503-0941-5 [3]
  20. ^ "Fritz Haber Institute: Collaborations". Retrieved 27 January 2022.
  21. ^ "Nositelé medaile Jana Marka Marci z Kronlandu". Spektroskopická společnost Jana Marka Marci, o.s. Retrieved 26 August 2022.
  22. ^ "Editorial Announcement: Sir Harold Thompson Memorial Award". Spectrochimica Acta. 42A (6): i. 1986.
  23. ^ "BUNKER, Dr. Philip R." IUPAC. Retrieved 21 July 2022.
  24. ^ "Alex Edwin Bunker". University of Helsinki. Retrieved 26 August 2022.

External links

February 14, 2023
philip, bunker, philip, bunker, british, canadian, scientist, author, known, work, theoretical, chemistry, molecular, spectroscopy, philip, bunkerborn29, june, 1941london, englandcitizenshipbritish, canadianalma, materking, college, london, university, cambrid. Philip R Bunker is a British Canadian scientist and author known for his work in theoretical chemistry and molecular spectroscopy Philip R BunkerBorn29 June 1941London EnglandCitizenshipBritish CanadianAlma materKing s College London B Sc University of Cambridge Ph D Known formolecular symmetry methylene CH2 dimethylacetyleneAwardsHumboldt Prize 1995Scientific careerFieldstheoretical chemistry molecular spectroscopyInstitutionsNational Research Council of CanadaDoctoral advisorChristopher Longuet Higgins 1 Contents 1 Education and early work 2 Career and important contributions 3 Awards and honors 4 Personal life 5 References 6 External linksEducation and early work EditPhilip Bunker was educated at Battersea Grammar School in Streatham He received a bachelor s degree at King s College in 1962 and earned a Ph D in theoretical chemistry from Cambridge University in 1965 advised by H C Longuet Higgins The subject of his Ph D thesis was the spectrum of the dimethylacetylene molecule and its torsional barrier 2 During Bunker s Ph D work in 1963 Longuet Higgins published the paper that introduced molecular symmetry groups consisting of feasible nuclear permutations and permutation inversions 3 Under the guidance of Longuet Higgins Bunker applied these new symmetry ideas and introduced the notations G36 and G100 for the molecular symmetry groups of dimethylacetylene and ferrocene respectively 4 After obtaining his Ph D degree he was a postdoctoral fellow with Jon T Hougen in the spectroscopy group of Gerhard Herzberg at the National Research Council of Canada He then spent his entire career at the National Research Council of Canada eventually rising to the position of Principal Research Officer in 1997 5 Career and important contributions EditPhilip Bunker s published scientific work has focused on the use of fundamental quantum mechanics to predict and interpret the spectral properties of polyatomic molecules due to their combined rotational vibrational electronic and nuclear spin states and their symmetries He has been particularly concerned with the study of the energy levels and spectra of molecules that undergo large amplitude vibrational motions 6 7 Applications of this work to the methylene CH2 molecule proved to be important in determining the separation between the singlet and triplet electronic states and in determining which singlet and triplet rotational levels interact 8 9 In the 1990 s he returned to the problem of determining the torsional barrier in dimethylacetylene after Robert McKellar and John Johns experimentalists at the National Research Council of Canada had obtained a very high resolution infrared spectrum of the molecule 10 Bunker is a well known expert in the use of the molecular symmetry group 11 12 At the end of Longuet Higgins paper in which he introduced permutation and permutation inversion molecular symmetry groups 3 Longuet Higgins wrote In conclusion it should be added that the present definition can be extended to linear molecules and to molecules where spin orbit coupling is strong but these topics are best dealt with separately However Longuet Higgins left the field of theoretical chemistry in 1967 he wrote nothing more about molecular symmetry and did not make these extensions Extensions of these principles were subsequently made to linear molecules 13 as well as to molecules with strong spin orbit coupling 14 Bunker is also known for his work in the quantitative description of non adiabatic effects in quantum molecular dynamics 15 16 Together with Per Jensen 1956 2022 who was a theoretical chemist at Bergische Universitat Wuppertal 17 Bunker has written two books on theoretical chemistry and molecular spectroscopy Molecular Symmetry and Spectroscopy 1998 18 and Fundamentals of Molecular Symmetry 2005 19 Currently Bunker is Researcher Emeritus at the National Research Council of Canada and a guest scientist at the Fritz Haber Institute of the Max Planck Society 20 He has also held visiting scientist positions at universities and institutions around the world during the course of his career including ETH Zurich Massey University Kyushu University and University of Florence 5 Awards and honors EditBunker received the Humboldt Prize 1995 the Medaili Jana Marca Marci of the Czech Spectroscopy Society 2002 21 and the 2002 Sir Harold Thompson Memorial Award which is sponsored by Pergamon Press now Elsevier for the most significant advance in spectroscopy published in Spectrochimica Acta each year 22 He is a fellow of the International Union of Pure and Applied Chemistry 23 Personal life EditBunker married Eva Cservenits in 1966 Their son Alex E Bunker is a computational chemist at the University of Helsinki who has co authored more than 50 research articles 24 References Edit Philip Bunker at the Mathematics Genealogy Project P R Bunker H C Longuet Higgins 1964 The Infrared Spectrum of Dimethylacetylene and the Torsional Barrier Proc R Soc A 280 1382 340 Bibcode 1964RSPSA 280 340B doi 10 1098 rspa 1964 0149 S2CID 94724543 a b Longuet Higgins H C 1963 The symmetry groups of non rigid molecules Molecular Physics 6 5 445 460 Bibcode 1963MolPh 6 445L doi 10 1080 00268976300100501 P R Bunker 1964 The Rotation Torsion Wavefunctions of Molecules that have two Identical Rotors Mol Phys 8 81 doi 10 1080 00268976400100091 a b Theory and Simulation Group of the National Research Council of Canada Retrieved 30 July 2021 J T Hougen P R Bunker J W C Johns 1970 The vibration rotation problem in triatomic molecules allowing for a large amplitude bending J Mol Spectrosc 34 136 Bibcode 1970JMoSp 34 136H doi 10 1016 0022 2852 70 90080 9 P R Bunker 1983 Quasilinear and quasiplanar molecules Annu Rev Phys Chem 34 59 Bibcode 1983ARPC 34 59B doi 10 1146 annurev pc 34 100183 000423 A R W McKellar P R Bunker T J Sears K M Evenson R J Saykally S R Langhoff 1983 Far Infrared Laser Magnetic Resonance of Singlet Methylene Singlet Triplet Perturbations Singlet Triplet Transitions and the Singlet Triplet Splitting J Chem Phys 79 11 5251 Bibcode 1983JChPh 79 5251M doi 10 1063 1 445713 P R Bunker The Spectrum Structure and Singlet Triplet Splitting in Methylene CH2 Chapter in Comparison of Ab Initio Quantum Chemistry with Experiment for small molecules ed Rodney J Bartlett Reidel Dordrecht The Netherlands 1985 ISBN 978 9027721297 C di Lauro P R Bunker J W C Johns A R W McKellar 1997 The rotation torsion structure in the n11 n15 Gs methyl rocking fundamental band in dimethylacetylene J Mol Spectrosc 184 1 177 185 Bibcode 1997JMoSp 184 177L doi 10 1006 jmsp 1997 7321 P R Bunker Practically Everything you Ought to know about the Molecular Symmetry Group in Vibrational Spectra and Structure Vol III ed James R Durig Marcel Dekker 1975 ISBN 10 0824711491I Xu Yunjie Jager Wolfgang May 2011 Philip R Bunker and A Robert W McKellar Special Issue Journal of Molecular Spectroscopy 267 1 2 1 2 Bibcode 2011JMoSp 267 1X doi 10 1016 j jms 2011 04 021 Retrieved 30 July 2021 P R Bunker D Papousek 1969 The Symmetry Groups of Linear Molecules J Mol Spectrosc 32 3 419 Bibcode 1969JMoSp 32 419B doi 10 1016 0022 2852 69 90007 1 P R Bunker The Spin Double Groups of Molecular Symmetry Groups Chapter in Lecture Notes in Chemistry ed J Hinze Springer Verlag volume 12 1979 ISBN 978 3540097075 P R Bunker R E Moss 1980 The Effect of the Breakdown of the Born Oppenheimer Approximation on the Rotation Vibration Hamiltonian of a Triatomic Molecule J Mol Spectrosc 80 1 217 Bibcode 1980JMoSp 80 217B doi 10 1016 0022 2852 80 90283 0 Per Jensen G Osmann and P R Bunker The Renner Effect Chapter 15 in Computational Molecular Spectroscopy eds P Jensen and P R Bunker Wiley Chichester 2000 ISBN 0 471 48998 0 1 Prof Per Jensen Retrieved 20 July 2022 P R Bunker and Per Jensen 1998 Molecular Symmetry and Spectroscopy 2nd ed NRC Research Press Ottawa ISBN 9780660196282 2 P R Bunker and Per Jensen 2005 Fundamentals of Molecular Symmetry CRC Press ISBN 0 7503 0941 5 3 Fritz Haber Institute Collaborations Retrieved 27 January 2022 Nositele medaile Jana Marka Marci z Kronlandu Spektroskopicka spolecnost Jana Marka Marci o s Retrieved 26 August 2022 Editorial Announcement Sir Harold Thompson Memorial Award Spectrochimica Acta 42A 6 i 1986 BUNKER Dr Philip R IUPAC Retrieved 21 July 2022 Alex Edwin Bunker University of Helsinki Retrieved 26 August 2022 External links EditMedaili Jana Marca Marci https lcms cz companies 7 Prof Bunker s personal web site at https chemphys ca pbunker Philip Bunker publications indexed by Google Scholar Excerpt from Battersea Grammar School Magazine 1959 courtesy of the Old Grammarians website Portals Biography Canada Chemistry Books Science Retrieved from https en wikipedia org w index php title Philip Bunker amp oldid 1135737931, wikipedia, wiki, book, books, library,

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