{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,25]],"date-time":"2025-10-25T12:01:50Z","timestamp":1761393710582},"reference-count":66,"publisher":"Elsevier BV","issue":"5","license":[{"start":{"date-parts":[[2009,1,1]],"date-time":"2009-01-01T00:00:00Z","timestamp":1230768000000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy"],"published-print":{"date-parts":[[2009,1]]},"DOI":"10.1016\/j.saa.2008.07.044","type":"journal-article","created":{"date-parts":[[2008,8,6]],"date-time":"2008-08-06T04:23:17Z","timestamp":1217996597000},"page":"2016-2022","source":"Crossref","is-referenced-by-count":24,"title":["Electronic structures and spectroscopic properties of rhenium (I) tricarbonyl photosensitizer: [Re(4,4\u2032-(COOEt)2-2,2\u2032-bpy)(CO)3py]PF6"],"prefix":"10.1016","volume":"71","author":[{"given":"Yunling","family":"Gao","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Shiguo","family":"Sun","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Keli","family":"Han","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"78","reference":[{"key":"10.1016\/j.saa.2008.07.044_bib1","doi-asserted-by":"crossref","first-page":"2533","DOI":"10.1021\/cm980303g","volume":"10","author":"Shklover","year":"1998","journal-title":"Chem. Mater."},{"key":"10.1016\/j.saa.2008.07.044_bib2","doi-asserted-by":"crossref","first-page":"392","DOI":"10.1021\/jp002545l","volume":"105","author":"Kuciauskas","year":"2001","journal-title":"J. Phys. Chem. B"},{"key":"10.1016\/j.saa.2008.07.044_bib3","doi-asserted-by":"crossref","first-page":"7424","DOI":"10.1021\/jp010173q","volume":"105","author":"Tachibana","year":"2001","journal-title":"J. Phys. Chem. B"},{"key":"10.1016\/j.saa.2008.07.044_bib4","doi-asserted-by":"crossref","first-page":"15640","DOI":"10.1021\/jp0369995","volume":"108","author":"Kils\u00e5","year":"2004","journal-title":"J. Phys. Chem. B"},{"key":"10.1016\/j.saa.2008.07.044_bib5","doi-asserted-by":"crossref","first-page":"4642","DOI":"10.1021\/ic051970w","volume":"45","author":"Barolo","year":"2006","journal-title":"Inorg. Chem."},{"key":"10.1016\/j.saa.2008.07.044_bib6","doi-asserted-by":"crossref","first-page":"15544","DOI":"10.1021\/ja053814u","volume":"127","author":"Tsubaki","year":"2005","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/j.saa.2008.07.044_bib7","doi-asserted-by":"crossref","first-page":"2326","DOI":"10.1021\/ic048779r","volume":"44","author":"Gholamkhass","year":"2005","journal-title":"Inorg. Chem."},{"key":"10.1016\/j.saa.2008.07.044_bib8","doi-asserted-by":"crossref","first-page":"4810","DOI":"10.1021\/ic0341338","volume":"42","author":"Chavarot","year":"2003","journal-title":"Inorg. Chem."},{"key":"10.1016\/j.saa.2008.07.044_bib9","doi-asserted-by":"crossref","first-page":"1707","DOI":"10.1021\/ic026096a","volume":"42","author":"Ishitani","year":"2003","journal-title":"Inorg. Chem."},{"key":"10.1016\/j.saa.2008.07.044_bib10","doi-asserted-by":"crossref","first-page":"5734","DOI":"10.1021\/ja0295218","volume":"125","author":"Funyu","year":"2003","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/j.saa.2008.07.044_bib11","doi-asserted-by":"crossref","first-page":"5468","DOI":"10.1039\/b508013d","author":"Inagaki","year":"2005","journal-title":"Chem. Commun."},{"key":"10.1016\/j.saa.2008.07.044_bib12","doi-asserted-by":"crossref","first-page":"4926","DOI":"10.1021\/ja058087h","volume":"128","author":"Ozawa","year":"2006","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/j.saa.2008.07.044_bib13","doi-asserted-by":"crossref","first-page":"14144","DOI":"10.1021\/ja054368d","volume":"127","author":"Fantacci","year":"2005","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/j.saa.2008.07.044_bib14","doi-asserted-by":"crossref","first-page":"3466","DOI":"10.1021\/ic020671t","volume":"42","author":"Charbonniere","year":"2003","journal-title":"Inorg. Chem."},{"key":"10.1016\/j.saa.2008.07.044_bib15","doi-asserted-by":"crossref","first-page":"14478","DOI":"10.1021\/ja027532v","volume":"124","author":"Miao","year":"2002","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/j.saa.2008.07.044_bib16","doi-asserted-by":"crossref","first-page":"1992","DOI":"10.1021\/ic049059n","volume":"44","author":"Lo","year":"2005","journal-title":"Inorg. Chem."},{"key":"10.1016\/j.saa.2008.07.044_bib17","doi-asserted-by":"crossref","first-page":"1714","DOI":"10.1021\/ic051266f","volume":"45","author":"Lo","year":"2006","journal-title":"Inorg. Chem."},{"key":"10.1016\/j.saa.2008.07.044_bib18","doi-asserted-by":"crossref","first-page":"9715","DOI":"10.1021\/ja048421u","volume":"126","author":"Fantacci","year":"2004","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/j.saa.2008.07.044_bib19","doi-asserted-by":"crossref","first-page":"641","DOI":"10.1039\/b400513a","volume":"34","author":"Browne","year":"2005","journal-title":"Chem. Soc. Rev."},{"key":"10.1016\/j.saa.2008.07.044_bib20","doi-asserted-by":"crossref","first-page":"4222","DOI":"10.1039\/b507196h","author":"Galletta","year":"2005","journal-title":"Chem. Commun."},{"key":"10.1016\/j.saa.2008.07.044_bib21","doi-asserted-by":"crossref","first-page":"5675","DOI":"10.1021\/ja00066a037","volume":"115","author":"Wang","year":"1993","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/j.saa.2008.07.044_bib22","doi-asserted-by":"crossref","first-page":"2297","DOI":"10.1021\/ic048786f","volume":"44","author":"Villegas","year":"2005","journal-title":"Inorg. Chem."},{"key":"10.1016\/j.saa.2008.07.044_bib23","series-title":"Photochemistry of Polypyridine and Porphyrin Complexes","author":"Kalyanasundaram","year":"1992"},{"key":"10.1016\/j.saa.2008.07.044_bib24","doi-asserted-by":"crossref","first-page":"5648","DOI":"10.1063\/1.464913","volume":"98","author":"Becke","year":"1993","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.saa.2008.07.044_bib25","doi-asserted-by":"crossref","first-page":"785","DOI":"10.1103\/PhysRevB.37.785","volume":"37","author":"Lee","year":"1988","journal-title":"Phys. Rev. B"},{"key":"10.1016\/j.saa.2008.07.044_bib26","doi-asserted-by":"crossref","first-page":"200","DOI":"10.1016\/0009-2614(89)87234-3","volume":"157","author":"Miehlich","year":"1989","journal-title":"Chem. Phys. Lett."},{"key":"10.1016\/j.saa.2008.07.044_bib27","doi-asserted-by":"crossref","first-page":"5961","DOI":"10.1021\/ic049735l","volume":"43","author":"Yang","year":"2004","journal-title":"Inorg. Chem."},{"key":"10.1016\/j.saa.2008.07.044_bib28","doi-asserted-by":"crossref","first-page":"6797","DOI":"10.1021\/jp0357727","volume":"108","author":"Yang","year":"2004","journal-title":"J. Phys. Chem. A"},{"key":"10.1016\/j.saa.2008.07.044_bib29","doi-asserted-by":"crossref","first-page":"2991","DOI":"10.1021\/jp0445829","volume":"109","author":"Vlcek","year":"2005","journal-title":"J. Phys. Chem. A"},{"key":"10.1016\/j.saa.2008.07.044_bib30","doi-asserted-by":"crossref","first-page":"6147","DOI":"10.1021\/jp051677h","volume":"109","author":"Gabrielsson","year":"2005","journal-title":"J. Phys. Chem. A"},{"key":"10.1016\/j.saa.2008.07.044_bib31","doi-asserted-by":"crossref","first-page":"3518","DOI":"10.1021\/jp037095m","volume":"108","author":"Dattelbaum","year":"2004","journal-title":"J. Phys. Chem. A"},{"key":"10.1016\/j.saa.2008.07.044_bib32","doi-asserted-by":"crossref","first-page":"7399","DOI":"10.1021\/jp020927g","volume":"106","author":"Monat","year":"2002","journal-title":"J. Phys. Chem. A"},{"key":"10.1016\/j.saa.2008.07.044_bib33","doi-asserted-by":"crossref","first-page":"7852","DOI":"10.1021\/ic030084n","volume":"42","author":"Stoyanov","year":"2003","journal-title":"Inorg. Chem."},{"key":"10.1016\/j.saa.2008.07.044_bib34","doi-asserted-by":"crossref","first-page":"7600","DOI":"10.1021\/ic051851g","volume":"45","author":"Ghosh","year":"2006","journal-title":"Inorg. Chem."},{"key":"10.1016\/j.saa.2008.07.044_bib35","first-page":"965","volume":"15","author":"Sun","year":"2004","journal-title":"Chin. Chem. Lett."},{"key":"10.1016\/j.saa.2008.07.044_bib36","doi-asserted-by":"crossref","first-page":"1995","DOI":"10.1021\/jp9716997","volume":"102","author":"Barone","year":"1998","journal-title":"J. Phys. Chem. A"},{"key":"10.1016\/j.saa.2008.07.044_bib37","doi-asserted-by":"crossref","first-page":"4708","DOI":"10.1063\/1.1394921","volume":"115","author":"Cossi","year":"2001","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.saa.2008.07.044_bib38","doi-asserted-by":"crossref","first-page":"12974","DOI":"10.1021\/jp960669l","volume":"100","author":"Kohn","year":"1996","journal-title":"J. Phys. Chem."},{"key":"10.1016\/j.saa.2008.07.044_bib39","unstructured":"E. Frisch, M.J. Frisch, Gaussian 98 user's reference, second ed., Gaussian, Inc., Pittsburgh, 1999, 34 pp."},{"key":"10.1016\/j.saa.2008.07.044_bib40","doi-asserted-by":"crossref","first-page":"270","DOI":"10.1063\/1.448799","volume":"82","author":"Hay","year":"1985","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.saa.2008.07.044_bib41","doi-asserted-by":"crossref","first-page":"284","DOI":"10.1063\/1.448800","volume":"82","author":"Wadt","year":"1985","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.saa.2008.07.044_bib42","doi-asserted-by":"crossref","first-page":"299","DOI":"10.1063\/1.448975","volume":"82","author":"Hay","year":"1985","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.saa.2008.07.044_bib43","doi-asserted-by":"crossref","first-page":"8218","DOI":"10.1063\/1.477483","volume":"109","author":"Stratmann","year":"1998","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.saa.2008.07.044_bib44","doi-asserted-by":"crossref","first-page":"4439","DOI":"10.1063\/1.475855","volume":"108","author":"Casida","year":"1998","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.saa.2008.07.044_bib45","doi-asserted-by":"crossref","first-page":"454","DOI":"10.1016\/0009-2614(96)00440-X","volume":"256","author":"Bauernschmitt","year":"1996","journal-title":"Chem. Phys. Lett."},{"key":"10.1016\/j.saa.2008.07.044_bib46","first-page":"664","volume":"108","author":"Adamo","year":"1998","journal-title":"Chem. Phys."},{"key":"10.1016\/j.saa.2008.07.044_bib47","doi-asserted-by":"crossref","first-page":"3098","DOI":"10.1103\/PhysRevA.38.3098","volume":"38","author":"Becke","year":"1988","journal-title":"Phys. Rev. A"},{"key":"10.1016\/j.saa.2008.07.044_bib48","series-title":"Gaussian 03, Revision C 01","author":"Frisch","year":"2004"},{"key":"10.1016\/j.saa.2008.07.044_bib49","first-page":"1833","volume":"23","author":"Mulliken","year":"1955","journal-title":"Chem. Phys."},{"key":"10.1016\/j.saa.2008.07.044_bib50","first-page":"1841","volume":"23","author":"Mulliken","year":"1955","journal-title":"Chem. Phys."},{"key":"10.1016\/j.saa.2008.07.044_bib51","doi-asserted-by":"crossref","first-page":"2338","DOI":"10.1063\/1.1741876","volume":"23","author":"Mulliken","year":"1955","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.saa.2008.07.044_bib52","doi-asserted-by":"crossref","first-page":"2343","DOI":"10.1063\/1.1741877","volume":"23","author":"Mulliken","year":"1955","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.saa.2008.07.044_bib53","doi-asserted-by":"crossref","first-page":"899","DOI":"10.1021\/cr00088a005","volume":"88","author":"Reed","year":"1988","journal-title":"Chem. Rev."},{"key":"10.1016\/j.saa.2008.07.044_bib54","series-title":"AOMix: Program for Molecular Orbital Analysis","author":"Gorelsky","year":"1997"},{"key":"10.1016\/j.saa.2008.07.044_bib55","doi-asserted-by":"crossref","first-page":"187","DOI":"10.1016\/S0022-328X(01)01079-8","volume":"635","author":"Gorelsky","year":"2001","journal-title":"J. Organomet. Chem."},{"key":"10.1016\/j.saa.2008.07.044_bib56","unstructured":"S.I. Gorelsky, SWizard Program, revision 4.2. http:\/\/www.sg-chem.net\/."},{"key":"10.1016\/j.saa.2008.07.044_bib57","doi-asserted-by":"crossref","first-page":"2271","DOI":"10.1021\/ic00311a007","volume":"28","author":"Chen","year":"1989","journal-title":"Inorg. Chem."},{"key":"10.1016\/j.saa.2008.07.044_bib58","doi-asserted-by":"crossref","first-page":"2043","DOI":"10.1021\/ic030324z","volume":"43","author":"Wenger","year":"2004","journal-title":"Inorg. Chem."},{"key":"10.1016\/j.saa.2008.07.044_bib59","doi-asserted-by":"crossref","first-page":"4994","DOI":"10.1021\/ic035471b","volume":"43","author":"Busby","year":"2004","journal-title":"Inorg. Chem."},{"key":"10.1016\/j.saa.2008.07.044_bib60","doi-asserted-by":"crossref","first-page":"4523","DOI":"10.1021\/ic049659m","volume":"43","author":"Busby","year":"2004","journal-title":"Inorg. Chem."},{"key":"10.1016\/j.saa.2008.07.044_bib61","doi-asserted-by":"crossref","first-page":"6100","DOI":"10.1021\/ic050531u","volume":"44","author":"Lo","year":"2005","journal-title":"Inorg. Chem."},{"key":"10.1016\/j.saa.2008.07.044_bib62","doi-asserted-by":"crossref","first-page":"1248","DOI":"10.1021\/ic0259181","volume":"42","author":"Ranjan","year":"2003","journal-title":"Inorg. Chem."},{"key":"10.1016\/j.saa.2008.07.044_bib63","series-title":"Aomix Manual","author":"Gorelsky","year":"2006"},{"key":"10.1016\/j.saa.2008.07.044_bib64","doi-asserted-by":"crossref","first-page":"2224","DOI":"10.1021\/ic048768y","volume":"44","author":"Platas-Iglesias","year":"2005","journal-title":"Inorg. Chem."},{"key":"10.1016\/j.saa.2008.07.044_bib65","doi-asserted-by":"crossref","first-page":"7757","DOI":"10.1021\/jp051065x","volume":"109","author":"Kress","year":"2005","journal-title":"J. Phys. Chem. A"},{"key":"10.1016\/j.saa.2008.07.044_bib66","doi-asserted-by":"crossref","first-page":"305","DOI":"10.1016\/j.cplett.2006.11.069","volume":"433","author":"Wu","year":"2007","journal-title":"Chem. Phys. Lett."}],"container-title":["Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1386142508004216?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1386142508004216?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2018,12,26]],"date-time":"2018-12-26T12:28:17Z","timestamp":1545827297000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1386142508004216"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2009,1]]},"references-count":66,"journal-issue":{"issue":"5","published-print":{"date-parts":[[2009,1]]}},"alternative-id":["S1386142508004216"],"URL":"https:\/\/doi.org\/10.1016\/j.saa.2008.07.044","relation":{},"ISSN":["1386-1425"],"issn-type":[{"value":"1386-1425","type":"print"}],"subject":[],"published":{"date-parts":[[2009,1]]}}}