The nature of inter- and intramolecular interactions in F2OXe…HX (X= F, Cl, Br, I) complexes

Electronic structure of the XeOF2 molecule and its two complexes with HX (X= F, Cl, Br, I) molecules have been studied in the gas phase using quantum chemical topology methods: topological analysis of electron localization function (ELF), electron density, ρ(r), reduced gradient of electron density |RDG(r)| in real space, and symmetry adapted perturbation theory (SAPT) in the Hilbert space. The wave function has been approximated by the MP2 and DFT methods, using APF-D, B3LYP, M062X, and B2PLYP functionals, with the dispersion correction as proposed by Grimme (GD3). For the Xe-F and Xe=O bonds in the isolated XeOF2 molecule, the bonding ELF-localization basins have not been observed. According to the ELF results, these interactions are not of covalent nature with shared electron density. There are two stable F2OXe…HF complexes. The first one is stabilized by the F-H…F and Xe…F interactions (type I) and the second by the F-H…O hydrogen bond (type II). The SAPT analysis confirms the electrostatic term, Eelst (1) and the induction energy, Eind (2) to be the major contributors to stabilizing both types of complexes

Genesee River Monroe County, New York

Originating in Potter County, Pennsylvania, the Genesee River travels 157 miles northward before emptying into the Rochester Embayment at the Port of Rochester on Lake Ontario. The 2,500-mi watershed of the Genesee River is predominately in agriculture and forest until it reaches the suburban urban environment of the City of Rochester, New York. Several wastewater plants, including Eastman Kodak’s industrial waste plant (King’s Landing) and Scottsville, and Honeoye Falls sewage treatment plants, discharge into the river. Just west and east of the outfall of the Genesee River into Lake Ontario are Charlotte and Durand Eastman Beaches that are periodically closed due to nuisance algae, bacterial abundance, and algal mat development along the southern shoreline of Lake Ontario. The Genesee River is also a major point of access to Lake Ontario and has over 1000 boat slips. The Genesee River’s high flow makes it a key contributor to the water quality of the Rochester Embayment in the nearshore zone. This short report provides a synopsis of data collected monthly from May through September (2003 to 2009) on the water quality of the Genesee River and the lakeside (swimmable depth) of Lake Ontario near the mouth of the river

Irondequoit Bay Monroe County, New York

Irondequoit Bay is approximately 4.2 miles long and 0.6 miles wide and is separated from Lake Ontario by a small barrier beach. Irondequoit Bay had been historically considered hypereutrophic when several sewage plants discharged directly into the bay; however, aggressive restoration by Monroe County has improved the eutrophic state of the bay. Restoration efforts included sealing the bottom sediments with alum, reducing both point and non-point sources of phosphorus, and the pumping of air into the hypolimnion to reduce phosphorus movement from the sediments into the water. Currently no direct sewage plant discharge is received, and phosphorus levels are approaching goals set by the county. Irondequoit Bay is located within the Rochester embayment, an indentation of the shoreline stretching from Bogus Point to Nine Mile Point. Much of the southern shore of Lake Ontario, the Bay, and the shoreline of Lake Ontario experience nuisance algae, bacteria, and algal mat development which foul the nearshore waters and limit water recreation. This short report provides a synopsis of data collected monthly from May through September (2003 to 2009) on the water quality of Irondequoit Bay and the lakeside (swimmable depth) of Lake Ontario near the mouth of the bay

Henderson Harbor Jefferson County, New York

Henderson Harbor is located on the eastern end of Lake Ontario and is home to most of Jefferson County’s charter boat fishing industry. The bay is 4 miles long, bordered by waterfront housing and a watershed dominated by rural agriculture. Much of the area’s economy is driven by seasonal tourism, making water quality in the harbor a major concern. The New York State Department of Environmental Conservation has acknowledged that inadequately treated sewage has been discharged into the bay from the Hamlet of Henderson Harbor. Additionally, failure of sewer systems around the bay has also contributed to excessive aquatic growth. The New York State Department of Health has designated the bay as stressed for drinking water and swimming use in large part due to this contamination (Makarewicz 2000). This short report provides a synopsis of data collected monthly from May through September (2005 to 2009) on the water quality of Henderson Harbor and the lakeside (swimmable depth) of Lake Ontario near the harbor

Sandy Creek Monroe/Orleans Counties, New York

Sandy Creek is located in Monroe and Orleans Counties in New York State and drains 89 mi2 of land. Surrounding land use is predominantly agriculture, though there are also residential influences. The Orleans County Soil and Water Conservation District through the Water Quality Coordinating Committee (WQCC) has monitored nutrient loss from the watershed through continuous automated monitoring and event sampling. Sandy Creek was identified as moderately polluted, not as pristine as forested watersheds but not as polluted as streams receiving partially treated sewage. Soil loss was highest (75% of total) during precipitation events suggesting that agricultural runoff may play a large role in cultural eutrophication of the creek (Makarewicz 2000). Nuisance algae and algal mat development foul the nearshore waters along the southern shoreline of Lake Ontario and are major causes of beach closings and limited water recreation. This short report provides a synopsis of data collected monthly from May through September (2003 to 2009) on the water quality of Sandy Creek and the lakeside (swimmable depth) of Lake Ontario near the mouth of the creek

Chaumont Bay Jefferson County, New York

Chaumont Bay is a 9,000-acre embayment located on the east end of Lake Ontario. The bay receives tributary waters from Guffon Creek, Three Mile Creek, and the Chaumont River, creating three smaller embayments within Chaumont Bay on the northeastern side. The bay is lined by shoreline development, but the watershed is primarily agriculture. Algae blooms plague Chaumont Bay and hamper boating, swimming, and fish consumption. Direct sewage discharges into Chaumont Bay have been documented, but inadequate septic systems are considered the primary source of nutrient loading to the bay. This short report provides a synopsis of data collected monthly from May through September (2005 to 2009) on the water quality of Chaumont Bay and the lakeside (swimmable depth) of Lake Ontario near the bay

Oak Orchard Creek Orleans County, New York

Oak Orchard Creek is a major tributary of Lake Ontario, with a watershed straddling Orleans and Genesee counties. Surrounding land use is a mix of residential, small commercial businesses, and agriculture. The Elba and Oakfield sewage treatment plants are located along Oak Orchard Creek, as are three hydroelectric dams located in Oak Orchard, Glenwood, and Waterport (Zollweg et al. 2005). The New York State Department of Environmental Conservation lists fishing in Oak Orchard as threatened. There have been high measures of DDT, DDE, DDD, PAHs, and arsenic identified near Lyndonville, NY, at one of these sites (Makarewicz 2000). Nuisance algae, bacterial abundance, and algal mat development along the southern shoreline of Lake Ontario are major causes of beach closings, fouling the nearshore waters and limiting water recreation. This short report provides a synopsis of data collected monthly from May through September (2003 to 2009) on the water quality of Oak Orchard Creek and the lakeside (swimmable depth) of Lake Ontario near the mouth of the creek

Long Pond Monroe County, New York

Long Pond, located on Lake Ontario near Rochester, New York, is surrounded by a mix of residential development, state park, and protected wildlife areas. Land use within the watershed is a mix of suburbia, including the Village of Spencerport, and agriculture. The waters of Long Pond are considered hypereutrophic, meaning it is very productive due to high nutrient loading. This productivity is likely due to nonpoint sources and the point source represented by the Spencerport Sewage Treatment Plant which releases advanced secondary sewage effluent into a tributary of Long Pond (Makarewicz 2000). Nuisance algae, bacterial abundance, and algal mat development near Long Pond along the southern shoreline of Lake Ontario were evident. This short report provides a synopsis of data collected monthly from May through September (2003 to 2009) on the water quality of Long Pond and the lakeside (swimmable depth) of Lake Ontario near the mouth of the pond

Braddock Bay Monroe County, New York

Braddock Bay, located just west of Rochester, NY, is one of Lake Ontario’s larger embayments. The bay is open to wave action from Lake Ontario, differentiating it from several other embayments such as Port and Sodus Bays. Braddock Bay is located in the 2,500-acre Braddock Bay Fish and Wildlife Management Area; is a major waterfowl and migratory bird nesting, resting, and feeding habitat; has 541 boat slips; and is a major access point to the lake from the southern shore. The Braddock Bay watershed contains a mix of residential development, state park, and protected wildlife areas. Nuisance algae, bacterial abundance, and algal mat development along the southern shoreline of Lake Ontario are major causes of beach closings, fouling the nearshore waters and limiting water recreation. This short report provides a synopsis of data collected monthly from May through September (2003 to 2009) on the water quality of Braddock Bay and the lakeside (swimmable depth) of Lake Ontario east of the entrance to Braddock Bay

Braddock Bay Monroe County, New York

Braddock Bay, located just west of Rochester, NY, is one of Lake Ontario’s larger embayments. The bay is open to wave action from Lake Ontario, differentiating it from several other embayments such as Port and Sodus Bays. Braddock Bay is located in the 2,500-acre Braddock Bay Fish and Wildlife Management Area; is a major waterfowl and migratory bird nesting, resting, and feeding habitat; has 541 boat slips; and is a major access point to the lake from the southern shore. The Braddock Bay watershed contains a mix of residential development, state park, and protected wildlife areas. Nuisance algae, bacterial abundance, and algal mat development along the southern shoreline of Lake Ontario are major causes of beach closings, fouling the nearshore waters and limiting water recreation. This short report provides a synopsis of data collected monthly from May through September (2003 to 2009) on the water quality of Braddock Bay and the lakeside (swimmable depth) of Lake Ontario east of the entrance to Braddock Bay