Tribute / Hommage
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TRIBUTE Russell Jaye Boyd was born in 1945 in Kelowna, the centre of British Columbia’s wine-producing and fruit-growing Okana- gan Valley. His early years were devoted to hockey, basket- ball, baseball, golf, and water-related activities. Just before his fifteenth birthday, his family moved to New Westminster, where he attended Lester Pearson High School and began to show some interest in science and mathematics. Russ enrolled in the Science program at the University of British Columbia in 1963 and graduated in 1967 with First- Class Honours in Chemistry and the Lefevre Gold Medal for highest standing in the Honours Chemistry program. His Hon- ours thesis focused on the new technique of photoelectron spectroscopy. At the time, there were no commercial instru- ments and UBC had the only photoelectron spectrometers in Canada. With enthusiastic encouragement from his thesis supervisor, David C. Frost, Russ attempted to carry out the first study of the angular dependence of photoelectron emis- sion. Despite the best efforts of the strong technical support team in the machine shop, two different designs failed to pro- duce meaningful results. To obtain some positive results, Russ rounded up supplies of some boron trihalides and re- corded their spectra. As one of the first recipients of a 1967 Science Scholarship (introduced in 1967 by the National Research Council (NRC) of Canada to celebrate Canada’s centennial), he went east to pursue his Ph.D. in Theoretical Chemistry at McGill University under the supervision of M.A. (Tony) Whitehead. As a conse- quence of the fact that he had recorded the photoelectron spectra of some boron trihalides (and some siloxanes) as an undergraduate, Russ realized that there was no theoretical framework for interpreting such spectra in the absence of electronic structure calculations. In 1967, reliable ab initio cal- culations were restricted to small molecules. In fact, the larg- est molecule in the 1967 compendium of ab initio calculations compiled by Morris Kraus is HCCCN for which A.D. McLean and M. Yoshimine reported a single-point SCF calculation with a small basis set. In his first few months as a graduate student, Russ completed some semi-empirical molecular orbi- tal calculations on the boron trihalides and sent the results to David Frost, which led to his first paper entitled ‘‘The Ionization Potentials of BF3, BCl3 and BBr3’’, in April 1968 in the first volume of Chemical Physics Letters. The existing semi-empirical molecular orbital methods in 1967 were not capable of predicting the equilibrium geome- tries of molecules. All calculations were carried out at the ex- perimental geometries or using assumed bond lengths and angles. Russ realized that this situation was unsatisfactory for studying reaction mechanisms and set out to develop a method that would yield molecular potential-energy surfaces and properties that agree with the experimental data. He de- veloped a method based on the complete neglect of differen- tial overlap approximation that had been introduced in 1965 by John Pople and his co-workers. He focused on equilibrium geometries, bond energies, and force constants (vibrational frequencies), the three chemically interesting properties asso- ciated with the minima of molecular potential-energy surfaces. This was an improvement over any other method that existed and was ultimately superseded by the work of Michael Dewar and his colleagues who used a slightly higher and chemically more reliable level of semi-empirical molecular orbital theory. After defending his Ph.D. in 1971, Russ joined the group of Charles A. Coulson in the Mathematical Institute at Oxford University as an NRC Postdoctoral Fellow. He had become disillusioned with semi-empirical approaches by the time he completed his thesis and saw more future in the ab initio ap- proaches that John A. Pople and his group were developing within their Gaussian code. Russ turned his attention to elec- tron correlation and published two papers with Coulson, in- cluding a description of the Coulomb hole in the first two excited states of the helium atom, his best-known paper from Oxford. With encouragement from Charles A. McDowell, Russ re- turned to the University of British Columbia where he held a Killam Postdoctoral Fellowship in the Department of Chemis- try from 1973 to 1975, where he renewed his interest in pho- toelectron spectroscopy. He published a single author letter in Nature in 1974 in which he pointed out that contrary to the usual interpretation of structural studies of porphyrin com- plexes, the lowest lying high-spin state of an atom (ion) in a given configuration is smaller than any state of lower spin. His prediction was verified two years later by scattering ex- periments on the first two excited states of the helium atom. Russ joined Dalhousie University as an Assistant Professor of Chemistry in 1975 and rose through the ranks to become a Professor in 1985. He was named a Faculty of Science Killam Professor in 1997, and in 2001 he became the seventh Alexander McLeod Chair of Chemistry. The McLeod Chair, one of the oldest named professorships in chemistry in Canada, was created in 1884 in accordance with a bequest from Alexander McLeod. Russ served as Chair of Chemistry from 1992 to 2005. During this time, 11 new faculty members, in- cluding four outstanding senior chemists, were recruited, the graduate program expanded significantly, and an addition to the Chemistry Building was approved. The Department gained four Tier I Canada Research Chairs (Neil Burford, Jeff Dahn, Don Weaver, and Joe Zwanziger) between 2001 and 2003. His research interests span a range of topics in computa- tional and theoretical chemistry with an emphasis on problems relevant to biological systems. He has published about 240 re- search papers and 10 review chapters and he co-edited The Quantum Theory of Atoms in Molecules with Che ´rif Matta in 2007. With over 5000 citations of his papers and an H-index of 42, Russ is one of Canada’s best-known computational chemists. He has supervised the research of 20 Ph.D. stu- dents, more than 25 postdoctoral fellows and senior visitors, and a comparable number of undergraduate students. His for- mer students have successful careers in academic institu- tions, government laboratories, and the industry. Fourteen former members of his group hold academic appointments in Canadian universities and another eight hold similar appoint- ments abroad. He is especially proud of the number of excel- lent young scientists who received a significant part of their training in his group. Russ received the 1983 APICS/Fraser Medal. He was the first and only chemist to receive this prize, which was awarded in the 1970s and 1980s to recognize outstanding research work carried out in the Atlantic Provinces by a young scientist or engineer. His other awards include the Fellowship of The Chemical Institute of Canada (1983), the CNC-IUPAC Award (1986), Dalhousie University Senior Killam Fellowship (1989), and the 2009 Montreal Medal of The Chemical Institute of Canada. Published by NRC Research Press ix Can. J. Chem. Downloaded from www.nrcresearchpress.com by HARBOR BRANCH OCEANOGRAPHIC on 11/09/14 For personal use only.
Transcript of Tribute / Hommage
TRIBUTE
Russell Jaye Boyd was born in 1945 in Kelowna, the centreof British Columbia’s wine-producing and fruit-growing Okana-gan Valley. His early years were devoted to hockey, basket-ball, baseball, golf, and water-related activities. Just beforehis fifteenth birthday, his family moved to New Westminster,where he attended Lester Pearson High School and began toshow some interest in science and mathematics.
Russ enrolled in the Science program at the University ofBritish Columbia in 1963 and graduated in 1967 with First-Class Honours in Chemistry and the Lefevre Gold Medal forhighest standing in the Honours Chemistry program. His Hon-ours thesis focused on the new technique of photoelectronspectroscopy. At the time, there were no commercial instru-ments and UBC had the only photoelectron spectrometers inCanada. With enthusiastic encouragement from his thesissupervisor, David C. Frost, Russ attempted to carry out thefirst study of the angular dependence of photoelectron emis-sion. Despite the best efforts of the strong technical supportteam in the machine shop, two different designs failed to pro-duce meaningful results. To obtain some positive results,Russ rounded up supplies of some boron trihalides and re-corded their spectra.
As one of the first recipients of a 1967 Science Scholarship(introduced in 1967 by the National Research Council (NRC)of Canada to celebrate Canada’s centennial), he went east topursue his Ph.D. in Theoretical Chemistry at McGill Universityunder the supervision of M.A. (Tony) Whitehead. As a conse-quence of the fact that he had recorded the photoelectronspectra of some boron trihalides (and some siloxanes) as anundergraduate, Russ realized that there was no theoreticalframework for interpreting such spectra in the absence ofelectronic structure calculations. In 1967, reliable ab initio cal-culations were restricted to small molecules. In fact, the larg-est molecule in the 1967 compendium of ab initio calculationscompiled by Morris Kraus is HCCCN for which A.D. McLeanand M. Yoshimine reported a single-point SCF calculationwith a small basis set. In his first few months as a graduatestudent, Russ completed some semi-empirical molecular orbi-tal calculations on the boron trihalides and sent the results toDavid Frost, which led to his first paper entitled ‘‘The IonizationPotentials of BF3, BCl3 and BBr3’’, in April 1968 in the firstvolume of Chemical Physics Letters.
The existing semi-empirical molecular orbital methods in1967 were not capable of predicting the equilibrium geome-tries of molecules. All calculations were carried out at the ex-perimental geometries or using assumed bond lengths andangles. Russ realized that this situation was unsatisfactory forstudying reaction mechanisms and set out to develop amethod that would yield molecular potential-energy surfacesand properties that agree with the experimental data. He de-veloped a method based on the complete neglect of differen-tial overlap approximation that had been introduced in 1965by John Pople and his co-workers. He focused on equilibriumgeometries, bond energies, and force constants (vibrationalfrequencies), the three chemically interesting properties asso-ciated with the minima of molecular potential-energy surfaces.This was an improvement over any other method that existedand was ultimately superseded by the work of Michael Dewarand his colleagues who used a slightly higher and chemicallymore reliable level of semi-empirical molecular orbital theory.
After defending his Ph.D. in 1971, Russ joined the group of
Charles A. Coulson in the Mathematical Institute at OxfordUniversity as an NRC Postdoctoral Fellow. He had becomedisillusioned with semi-empirical approaches by the time hecompleted his thesis and saw more future in the ab initio ap-proaches that John A. Pople and his group were developingwithin their Gaussian code. Russ turned his attention to elec-tron correlation and published two papers with Coulson, in-cluding a description of the Coulomb hole in the first twoexcited states of the helium atom, his best-known paper fromOxford.
With encouragement from Charles A. McDowell, Russ re-turned to the University of British Columbia where he held aKillam Postdoctoral Fellowship in the Department of Chemis-try from 1973 to 1975, where he renewed his interest in pho-toelectron spectroscopy. He published a single author letter inNature in 1974 in which he pointed out that contrary to theusual interpretation of structural studies of porphyrin com-plexes, the lowest lying high-spin state of an atom (ion) in agiven configuration is smaller than any state of lower spin.His prediction was verified two years later by scattering ex-periments on the first two excited states of the helium atom.
Russ joined Dalhousie University as an Assistant Professorof Chemistry in 1975 and rose through the ranks to become aProfessor in 1985. He was named a Faculty of Science KillamProfessor in 1997, and in 2001 he became the seventhAlexander McLeod Chair of Chemistry. The McLeod Chair,one of the oldest named professorships in chemistry in Canada,was created in 1884 in accordance with a bequest fromAlexander McLeod. Russ served as Chair of Chemistry from1992 to 2005. During this time, 11 new faculty members, in-cluding four outstanding senior chemists, were recruited, thegraduate program expanded significantly, and an addition tothe Chemistry Building was approved. The Department gainedfour Tier I Canada Research Chairs (Neil Burford, Jeff Dahn,Don Weaver, and Joe Zwanziger) between 2001 and 2003.
His research interests span a range of topics in computa-tional and theoretical chemistry with an emphasis on problemsrelevant to biological systems. He has published about 240 re-search papers and 10 review chapters and he co-edited TheQuantum Theory of Atoms in Molecules with Cherif Matta in2007. With over 5000 citations of his papers and an H-indexof 42, Russ is one of Canada’s best-known computationalchemists. He has supervised the research of 20 Ph.D. stu-dents, more than 25 postdoctoral fellows and senior visitors,and a comparable number of undergraduate students. His for-mer students have successful careers in academic institu-tions, government laboratories, and the industry. Fourteenformer members of his group hold academic appointments inCanadian universities and another eight hold similar appoint-ments abroad. He is especially proud of the number of excel-lent young scientists who received a significant part of theirtraining in his group.
Russ received the 1983 APICS/Fraser Medal. He was thefirst and only chemist to receive this prize, which was awardedin the 1970s and 1980s to recognize outstanding researchwork carried out in the Atlantic Provinces by a young scientistor engineer. His other awards include the Fellowship of TheChemical Institute of Canada (1983), the CNC-IUPAC Award(1986), Dalhousie University Senior Killam Fellowship (1989),and the 2009 Montreal Medal of The Chemical Institute ofCanada.
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Russ took on leading roles in organizing the Canadian Soci-ety for Chemistry Conferences in Halifax in 1981, 1990, and2006. He was the principal organizer of the 8th CanadianSymposium on Theoretical Chemistry in 1983 and the 7thCanadian Computational Chemistry Conference in 2009. Heis a member of the College of Reviewers of the Canada Re-search Chairs Program, and he has served on many commit-tees of the Natural Sciences and Engineering ResearchCouncil of Canada (NSERC). He has served on selection pan-els for the National Science Foundation (NSF) of the USA andthe Canada–US Fulbright Program. He has served on manyboards, including the Canadian Society for Chemistry, theCanadian Journal of Chemistry, the Dalhousie UniversityFoundation, the Atlantic Provinces Council on the Sciences,and the World Association of Theoretical and ComputationalChemists. He was an editor of the Canadian Journal of Chem-istry from 1988 to 1998 and served as President of the Cana-dian Society for Chemistry in 2007–2008. His many other
activities include Judge-in-Chief for the 1984 Canada-WideScience Fair. He is currently the Principal Investigator (Re-search Director) for the Atlantic Computational ExcellenceNetwork (ACEnet), a consortium of nine universities in AtlanticCanada that provides high-performance computing facilitiesby means of funding from the Canada Foundation for Innova-tion (CFI).
The number, quality, and countries of origin of the paperssubmitted to this dedicated issue of the Canadian Journal ofChemistry attest to breadth and reach of Russ Boyd’s influ-ence in the computational and theoretical chemistry commun-ity in Canada and abroad, as well as his contributions to thebroader chemical community.
Neil BurfordHalifax, Nova Scotia
Can. J. Chem. Vol. 88, 2010
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HOMMAGE
Russell Jaye Boyd naıt en 1945 a Kelowna, situee aucentre de la region viticole et fruitiere de la vallee de l’Oka-nagan (Colombie-Britannique). Il consacre les premieres an-nees de sa vie au hockey, au basketball, au baseball, au golfet aux activites aquatiques. Peu de temps avant son quin-zieme anniversaire, sa famille demenage a New Westminsterou il frequente l’ecole secondaire Lester Pearson et com-mence a manifester un interet pour les sciences et les mathe-matiques.
En 1963, Russ s’inscrit au programme de sciences de l’Uni-versite de la Colombie-Britannique (UBC) et en 1967, il ob-tient son diplome en chimie avec tres grande distinction et laLefevre Gold Medal pour avoir obtenu les meilleurs resultatsdans le programme specialise en chimie. Sa these de special-isation porte principalement sur la nouvelle technique despectroscopie photoelectronique. A ce moment-la, il n’existeaucun spectrometre photoelectronique vendu sur le marcheet l’UBC est seule a en posseder au Canada. Fort de l’en-couragement enthousiaste de son directeur de these, DavidC. Frost, Russ tente de mener la premiere etude sur la de-pendance angulaire de l’emission de photoelectrons. Malgretous les efforts deployes par la solide equipe de soutien tech-nique de l’atelier de mecanique, deux concepts differents neparviennent pas a produire des resultats significatifs. Afind’obtenir des resultats positifs, Russ rassemble des reservesde trihalogenures de bore et enregistre leur spectre.
Laureat de l’une des premieres bourses 1967 en sciences(instauree en 1967 par le Conseil national de recherches duCanada pour souligner le centenaire de la Confederation), ilse dirige vers l’est pour poursuivre un doctorat en chimie the-orique a l’Universite McGill sous la direction de M. A. (Tony)Whitehead. En raison du fait qu’au cours de ses etudes depremier cycle, il a eu a enregistrer les spectres photoelectroni-ques de trihalogenures de bore (et de siloxanes), Russ serend compte qu’il n’existe aucun cadre theorique pour inter-preter de tels spectres en l’absence de calculs de structureselectroniques. En 1967, les seuls calculs ab initio fiables selimitent aux petites molecules. En fait, la plus grosse moleculerepertoriee dans le recueil des calculs ab initio de 1967(Morris Kraus) est le cyanoacetylene (HCCCN) pour laquelleA.D. McLean et M. Yoshimine ont fait etat d’un calcul SCF enun seul point avec un petit ensemble de base. Au cours deses premiers mois comme etudiant diplome, Russ effectuedes calculs semi-empiriques d’orbitales moleculaires sur destrihalogenures de bore et il fait parvenir ses resultats a DavidFrost, ce qui mene la publication, en avril 1968, de son pre-mier article intitule « The Ionization Potentials of BF3, BCl3and BBr3 » dans le premier volume de la revue ChemicalPhysics Letters.
En 1967, les methodes semi-empiriques d’orbitales molecu-laires utilisees ne permettent pas de prevoir les geometriesd’equilibre des molecules. Tous les calculs sont effectues surdes geometries experimentales ou au moyen de longueurs etd’angles de liaison presumes. Russ se rend compte que cettesituation est peu satisfaisante pour etudier les mecanismes dereaction et entreprend de mettre au point une methode quipermettrait de produire des surfaces et des proprietes d’en-ergie potentielle moleculaire qui cadrent avec des donneesexperimentales. Il met au point une methode fondee sur l’ap-proximation du recouvrement differentiel nul, introduite en1965 par John Pople et ses collegues. Il concentre ses efforts
sur les geometries d’equilibre, les energies de liaison et lesconstantes de force (frequences vibrationnelles), trois pro-prietes revetant un interet certain sur le plan de la chimie etassociees aux minima des surfaces d’energie potentielle. Ils’agit d’une amelioration par rapport a toutes les autres meth-odes existantes. Mais finalement, elle sera detronee par lestravaux de Michael Dewar et de ses collegues, qui utilisentun niveau legerement plus eleve et plus fiable chimiquementde la theorie semi-empirique des orbitales moleculaires.
Apres avoir defendu sa these de doctorat en 1971, Russ sejoint a l’equipe de Charles A. Coulson a l’Institut de mathema-tiques de l’Universite d’Oxford a titre de boursier postdoctoraldu CNRC. Desenchante des methodes semi-empiriques etavant meme qu’il ne termine sa these, il se tourne vers lesmethodes ab initio plus prometteuses que John A. Pople etson equipe sont a mettre au point dans un cadre gaussien.Russ se penche donc sur la correlation electronique et publiedeux articles avec Coulson, dont une description du trou deCoulomb dans les deux premiers etats d’excitation de l’atomed’helium, son article le mieux connu issu d’Oxford.
Encourage par Charles A. McDowell, Russ retourne a l’Uni-versite de la Colombie-Britannique ou il est titulaire d’unebourse postdoctorale Killam au Departement de chimie de1973 a 1975. C’est la qu’il s’interesse de nouveau a la spec-troscopie photoelectronique. En 1974, dans un texte publiedans la revue Nature, il fait valoir que contrairement a l’inter-pretation courante des etudes structurelles des complexes deporphyrine, le plus faible etat de spin eleve d’un atome (ion)dans une configuration donnee est plus petit que tout etat despin plus faible. Sa prediction sera verifiee deux ans plus tardpar des experiences de diffusion menees sur les deux pre-miers etats excites de l’atome d’helium.
Russ est embauche par l’Universite Dalhousie a titre deprofesseur adjoint de chimie en 1975 et grimpe les echelonspour devenir professeur en 1985. En 1997, on le nomme pro-fesseur Killam de la Faculte des sciences, et en 2001, il de-vient le septieme titulaire de la chaire de chimie AlexanderMcLeod. La chaire McLeod, l’une des plus anciennes chairesdenommees en chimie au Canada, a ete creee en 1884 con-formement a un legs d’Alexander McLeod. Russ occupe lesfonctions de directeur du Departement de chimie de 1992 a2005. Au cours de cette periode, onze nouveaux membresdu corps professoral sont recrutes (dont quatre eminents chi-mistes chevronnes), le programme d’etudes superieuresprend de l’expansion de facon importante et on approuve laconstruction d’une adjonction a l’edifice de la Faculte de chi-mie. Entre 2001 et 2003, le Departement recrute quatre cher-cheurs inscrits au Programme des chaires de recherche duCanada de niveau I (Neil Burford, Jeff Dahn, Don Weaver etJoe Zwanziger).
Les travaux de recherche de Russ englobent divers sujetsdans les domaines de la chimie theorique et numerique touten portant une attention particuliere aux problemes lies auxsystemes biologiques. Il a publie jusqu’a maintenant environ240 articles de recherche et dix chapitres de synthese et acoredige, en 2007, l’ouvrage « The Quantum Theory of Atomsin Molecules » avec Cherif Matta. Plus de 5000 citations deses articles et un indice h de 42 font de Russ l’un deschimistes-informaticiens canadiens les plus connus. Au coursde sa carriere, il dirige les travaux de 20 etudiants au doc-torat, de plus de 25 boursiers postdoctoraux et de visiteurs
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de haut niveau et d’un nombre comparable d’etudiants de pre-mier cycle. Ses anciens etudiants poursuivent des carrieresflorissantes dans des etablissements universitaires, des labo-ratoires gouvernementaux ou l’industrie. Quatorze anciensmembres de son equipe occupent des postes de professeurdans des universites canadiennes et huit autres font dememe a l’etranger. Il est particulierement fier du nombre d’ex-cellents jeunes scientifiques qui ont recu une partie importantede leur formation au sein de son equipe.
Russ recoit l’APICS/Fraser Medal en 1983. Il est le premieret le seul chimiste a recevoir ce prix, remis dans les annees1970 et 1980 pour souligner les travaux de recherche remar-quables menes par de jeunes scientifiques ou ingenieurs dansles provinces de l’Atlantique. Il compte egalement parmi sesrecompenses la bourse de recherche de l’Institut de chimiedu Canada (1983), le prix CNC-UICPA (1986), la bourse dechercheur chevronne Killam de l’Universite Dalhousie (1989)et la Medaille de Montreal de l’Institut de chimie du Canada(2009).
Russ assume des roles de premier plan dans l’organisationdes congres de la Societe canadienne de chimie de 1981, de1990 et de 2006. Il est le principal organisateur du 8e sympo-sium canadien de chimie theorique (1983) et du 7e congrescanadien de chimie numerique (2009). Il fait partie du Colleged’examinateurs du Programme de chaires de recherche duCanada et siege a de nombreux comites au Conseil de re-cherches en sciences naturelles et en genie du Canada. Il
siege a des jurys de selection pour la National Science Foun-dation des Etats-Unis et le Programme Fulbright Canada-Etats-Unis. Il fait egalement partie de nombreux conseils d’ad-ministration, dont ceux de la Societe canadienne de chimie,de la Revue canadienne de chimie, de la Fondation de l’Uni-versite Dalhousie, du Conseil des provinces atlantiques pourles sciences et de la World Association of Theoretical andComputational Chemists . Il est l’un des redacteurs en chefde la Revue canadienne de chimie de 1988 a 1998 et il siegea titre de president de la Societe canadienne de chimie en2007-2008. De plus, le role de juge en chef a l’occasion del’Expo-sciences pancanadienne de 1984 constitue une autrede ses nombreuses activites. Il est actuellement le chercheurprincipal (directeur de la recherche) de l’Atlantic Computa-tional Excellence Network (ACEnet), un consortium de neufuniversites du Canada atlantique qui fournit des infrastruc-tures informatiques de haute performance grace aux fondsprovenant de la Fondation canadienne pour l’innovation.
Le nombre, la qualite et les pays d’origine des articles sou-mis au present numero special de la Revue canadienne dechimie temoignent aussi bien de l’ampleur et du rayonnementde l’influence de Russ Boyd dans les milieux de la chimie the-orique et numerique tant au Canada qu’a l’etranger que deson apport au milieu de la chimie en general.
Neil BurfordHalifax (Nouvelle-Ecosse)
Can. J. Chem. Vol. 88, 2010
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