Proceedings
of the XIII th International Symposium on NQR Spectroscopy
P r o v i d e n c e R h o d e Island, U S A , M y 2 3 - 2 8 , 1995.
Z. N a t u r f o r s c h . 5 1 a , 3 1 5 - 8 0 4 ( 1 9 9 6 )
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This volume contains the Proceedings of the XIII International Symposium on Nuclear Q u a d r u p o l e Interactions ( N Q I ) , held in Providence, R h o d e Island, f r o m July 23rd to 28th, 1995; it is dedicated to the m e m o r y of Professor Alarich Weiss, a former chairman of the International Committee a n d one of the f o u n d e r s of this series of Symposia, who died on October 10th, 1995, after a long illness. D u r i n g the Providence Symposium, he became the first recipient of the N Q I Award, presented for his o u t s t a n d i n g contributions to nuclear q u a d r u p o l e resonance research and for the work he did in developing and strengthening the N Q I c o m m u - nity. This was but the last of a series of h o n o u r s a n d a w a r d s which he received during his lifetime for contributions to physical chemistry which included not only the study of nuclear q u a d r u p o l e and nuclear magnetic resonance in solids, but other fields as diverse X-ray and neutron crystallography, preparative inorganic chemistry, the transport properties of liquids, compleximetric titrations, intermetallic systems, and hydrogen absorption in alloys.
Alarich Weiss was b o r n on F e b r u a r y 2nd, 1925 in Bavaria. He studied physics at Erlangen, Mainz and D a r m s t a d t . While studying for his P h . D . degree under Professor Helmut Witte on the electron density distribution in calcium fluoride, he also worked with his brother A r m i n Weiss in the field of preparative inorganic chemistry a n d X-ray crystal structure analysis, with some emphasis on c o m p o u n d s of silicon a n d mercury. This collaboration was so productive that seventeen papers were published before his first w o r k on calcium fluoride appeared in 1957.
In the period 1956 to 1957, he spent one year with Professor Walter J. M o o r e in Bloomington, Indiana and a f u r t h e r year at the Carnegie Institute of Technology in Pittsburgh. In 1958 he returned to the Institute of Physical Chemistry at the Technische Hochschule of D a r m s t a d t to begin his first research work o n q u a d r u p o l e interactions in the solid state. His first paper in this field, published in this j o u r n a l in 1960, was o n 2 3N a q u a d r u p o l e interactions in a single crystal of sodium nitrite, an experimental technique which was to interest him for the rest of his life, and to which he m a d e m a n y i m p o r t a n t contributions. In 1962, he finished his post-graduate degree (Habilitation) in physical chemistry a n d became a professor in 1965, by which time he had already published six papers on nuclear q u a d r u p o l e interactions, whilst continuing the collaboration with Armin Weiss. In 1967 he accepted an invitation to occupy a full professorial position at the University of M ü n s t e r , but returned to D a r m s t a d t in 1972 to a chair in chemical spectroscopy in the Institute of Physical Chemistry at the Technische Hochschule, where he stayed for the rest of his working career, except during guest professorships at the Universities of Madras, Geneva and N a g o y a .
His earlier studies on 2 3N a q u a d r u p o l e interactions in single crystals of N a N 02, N a2S206 • 2 H20 , and N a2S 04 were followed by an extensive series of investigations of N Q R in polycrystalline samples by m e a n s of a very diverse range of nuclei including 35C1, 7 9'8 1B r ,
2 7A1 and 1 2 7I . At the same time he developed m e t h o d s of studying Knight shifts in the N M R spectra of intermetallic c o m p o u n d s of nuclei such as 1 1 3C d a n d 2 0 5T1. An i m p o r t a n t instrumen- tal contribution during these years was the development of a 4 n goniometer for the study of quadrupole interactions in single crystals f r o m their Z e e m a n splitting patterns, which several years later was modified a n d became a m i c r o c o m p u t e r controlled device for the accurate determination of the full q u a d r u p o l e tensor, even when the asymmetry p a r a m e t e r was close to zero. The techniques of N M R a n d N Q R were skilfully used to investigate a wide range of problems in solid state chemistry, such as the study of the electron density distribution in ionic crystals, covalency in organic c o m p o u n d s , crystal field effects and their temperature depen- dence, phase transitions in a variety of organic and inorganic crystals, and spin lattice relax- ation and its relation to molecular m o t i o n in m a n y different compounds. Dipole-dipole inter-
actions in *H N M R were used to determine the positions of protons, a n d 2H N M R in crystal hydrates to investigate hydrogen bonding and the dependence of the 2H q u a d r u p o l e coupling parameters on the crystal environment.
The theoretical aspects of the subject were not neglected; detailed studies were performed on electrical interactions in solids, the calculation of Sternheimer anti-shielding factors, electron polarizabilities, and m e t h o d s of deriving lattice sums in ionic crystals. There were a n u m b e r of papers on N M R in intermetallic and metal-hydrogen systems, the dielectric properties of solids, pyro-electricity and superconductivity, subjects denoting the wide range of Alarich Weiss's interests in physical chemistry. In these fields, he published a total of over 350 scientific papers.
H e also wrote with Wolfgang Pies volume 7 of the New Series of Landolt-Börnstein numerical data. This volume on " T h e Crystal Structure of Inorganic C o m p o u n d s " is itself subdivided into 15 large subvolumes.
This work brought him world-wide recognition and m a n y scientific h o n o u r s , of which the a w a r d f r o m the J a p a n Society for the P r o m o t i o n of Science is worthy of mention. His research g r o u p in D a r m s t a d t became renowned internationally as a centre of excellence in nuclear q u a d r u p o l e resonance spectroscopy, and m a n y scholars were trained there or came to visit his Institute f r o m a b r o a d . Alarich Weiss's international reputation and high standing in science led to m a n y invitations to serve on scientific organisations. He was president of the Bunsen- Gesellschaft for Physical Chemistry and for m a n y years a m e m b e r of the executive committee of the G e r m a n Chemical Society. He was strongly c o m m i t t e d to the work of the Alexander von H u m b o l d t F o u n d a t i o n , where he held the office of Vice-President of the central selection committee of the F o u n d a t i o n . He and his wife Elisabeth personally advised and helped the H u m b o l d t fellows who came to D a r m s t a d t .
His contribution to his chosen fields of research was immense and will continue to influence all w h o work with nuclear q u a d r u p o l e interactions. It is a p p r o p r i a t e that this volume should be dedicated to his memory, as it contains some of his last papers in a long and distinguished series, m a n y of which were published in this j o u r n a l .
P. C. Schmidt and J. A. S. Smith
Preface
These Proceedings contain papers based on a selection of talks presented at the X I I It h
International Symposium on Nuclear Q u a d r u p o l e Interactions, which was held at Brown University in Providence, R h o d e Island, U S A , during the period 2 3 - 2 8 July 1995. This was the first Symposium to carry the expanded title Nuclear Q u a d r u p o l e Interactions in place of the Nuclear Q u a d r u p o l e Resonance Spectroscopy employed for the twelve prior meetings. The b r e a d t h of topics and experimental techniques evident in the papers of these Proceedings reflect that broadening of the scope of the symposia to e m b r a c e all experimental a n d theoretical work on nuclear q u a d r u p o l e interactions. This change was a d o p t e d by the International Committee on N Q R Spectroscopy at the XIIt h International Symposium in Zurich, Switzerland in July 1993. In a corresponding action, the n a m e of the C o m m i t t e e was changed to the International Committee on N Q I . Some 170 papers were presented at the XIIIt h Symposium which involved m o r e than 120 participants and their guests f r o m 28 countries, including 15 scientists f r o m Russia, the Ukraine, and Armenia. T h e p a p e r s in the Proceedings are organized in the follow- ing sections:
Page:
(A) Advanced Techniques in N Q R and N M R 321
(B) Mössbauer Spectroscopy 368
(C) Perturbed A n g u l a r Correlations 396
(D) Electric Field Gradients: Calculations a n d Experimental Values 442 (E) Structure a n d Bonding in Crystalline Solids and Glasses 572 (F) Phase Transitions, A t o m i c M o t i o n s , Dynamics,
Relaxation, Temperature Dependence 677
(G) Superconductors 786
The International Committee on Nuclear Q u a d r u p o l e Interactions, and the Organizing Committee for the XIIIt h International Symposium, gratefully acknowledge support and spon- sorship by the following agencies, companies, individuals a n d institutions:
Dr. Vartan G r e g o r i a n , President, Brown University Dr. F r a n k R o t h m a n , Provost, Brown University Brown University
U.S. D e p a r t m e n t of Energy/Lawrence Berkeley L a b o r a t o r y U.S. N a t i o n a l Science F o u n d a t i o n
Tecmag, Inc.
R I T E C , Inc.
It is a pleasure to acknowledge the advice a n d assistance of D r . J. A. S. Smith of Kings College, L o n d o n and Dr. Detlev B r i n k m a n n of the University of Zurich w h o hosted the XIt h
and XIIt h Symposia in L o n d o n (1991) a n d Zurich (1993), respectively. T h e extensive imagina- tive work of the Organizing Committee, a n d the c o n t r i b u t i o n s of the participants a n d their guests, brought a b o u t a Symposium that was highly productive scientifically and most pleasant an occasion socially. T h e members of the Organizing C o m m i t t e e were:
Professor Philip J. Bray ( C h a i r m a n ) Brown University
Professor Tara P. D a s State University of N e w York at A l b a n y Professor Robert A. M a r i n o H u n t e r College
Dr. Gary L. Petersen R I T E C , Inc. a n d Brown University Professor Alexander Pines University of California at Berkeley Professor P. Craig Taylor University of U t a h
Professor G a r y P. Wulfsberg Middle Tennessee State University
We are grateful to the Editor of the Zeitschrift f ü r N a t u r f o r s c h u n g , Prof. A. K l e m m , for his excellent cooperation and to the M a n a g i n g Editor, M r s . T. L i t t m a n n , for her efficient a n d swift handling of the papers a n d for her patience. T h e editing of the Proceedings was d o n e by G a r y Wulfsberg and Robert M a r i n o .
