Please use this identifier to cite or link to this item: http://hdl.handle.net/1942/3732
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dc.contributor.authorAndrews, L.-
dc.contributor.authorMielke, Z.-
dc.contributor.authorTAYLOR, PR-
dc.contributor.authorMARTIN, Jan-
dc.date.accessioned2007-11-29T12:55:24Z-
dc.date.available2007-11-29T12:55:24Z-
dc.date.issued1994-
dc.identifier.citationJOURNAL OF PHYSICAL CHEMISTRY, 98(42). p. 10706-10709-
dc.identifier.issn0022-3654-
dc.identifier.urihttp://hdl.handle.net/1942/3732-
dc.description.abstractA flowing argon stream containing N-2 was Seeded with P-4 vapor, subjected to microwave discharge, and condensed at 12 K. Weak infrared absorptions due to PN (1327.7 cm((-)1)), P2O (1270.7 cm(-1)), P2O (1240.8 cm(-1)), SiO (1226.0 cm(-1)), P-4 (465 cm(-1)), and PO (1218 cm(-1)) and a strong new 1179.3 cm(-1) band were observed. The new absorption is assigned to the linear PNP radical on the basis of N-15 substitution, annealing and photolysis behavior, and complete-active-space self-consistent field (CASSCF) structure and frequency calculations. A 353 nm band system with a 560 +/- 20 cm(-)1 vibronic interval is assigned to the A(2) Sigma(u)(+)-X(2)IIg transition of PNP with the help of large-scale multireference calculations.-
dc.language.isoen-
dc.publisherAMER CHEMICAL SOC-
dc.titleMatrix infrared-spectrum and ab-initio calculations on the PNP radical-
dc.typeJournal Contribution-
dc.identifier.epage10709-
dc.identifier.issue42-
dc.identifier.spage10706-
dc.identifier.volume98-
local.format.pages4-
dc.description.notesSAN DIEGO SUPERCOMP CTR,SAN DIEGO,CA 92186. LIMBURGS UNIV CENTRUM,DEPT SBG,B-3590 DIEPENBEEK,BELGIUM. UNIV INSTELLING ANTWERP,DEPT CHEM,B-2610 WILRIJK,BELGIUM.ANDREWS, L, UNIV VIRGINIA,DEPT CHEM,MCCORMICK RD,CHARLOTTESVILLE,VA 22901.-
local.type.refereedRefereed-
local.type.specifiedArticle-
dc.bibliographicCitation.oldjcatA1-
local.classdsPublValOverrule/internal_author_not_expected-
dc.identifier.isiA1994PN08000007-
item.fulltextNo Fulltext-
item.contributorAndrews, L.-
item.contributorMielke, Z.-
item.contributorTAYLOR, PR-
item.contributorMARTIN, Jan-
item.fullcitationAndrews, L.; Mielke, Z.; TAYLOR, PR & MARTIN, Jan (1994) Matrix infrared-spectrum and ab-initio calculations on the PNP radical. In: JOURNAL OF PHYSICAL CHEMISTRY, 98(42). p. 10706-10709.-
item.accessRightsClosed Access-
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